(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide

C161H211Cl12N29O15S2 — CID 161493913

IUPAC(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCCN(C1CCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.CNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@@H](NS(C)(=O)=O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)N(C)C)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C28H39Cl2N5O3S.C28H37Cl2N5O2.C27H35Cl2N5O2.C26H35Cl2N5O3S.C26H33Cl2N5O2.C26H32Cl2N4O3/c1-4-35(39(3,37)38)23-12-14-33(15-13-23)22-10-16-34(17-11-22)28(36)27-20(2)26(31-19-32-27)7-5-6-21-8-9-24(29)25(30)18-21;1-19-25(8-4-6-20-9-10-23(29)24(30)16-20)31-18-32-26(19)28(37)34-14-11-22(12-15-34)35-13-5-7-21(17-35)27(36)33(2)3;1-18-24(7-3-5-19-8-9-22(28)23(29)15-19)31-17-32-25(18)27(36)33-13-10-21(11-14-33)34-12-4-6-20(16-34)26(35)30-2;1-18-24(7-3-5-19-8-9-22(27)23(28)15-19)29-17-30-25(18)26(34)32-13-10-21(11-14-32)33-12-4-6-20(16-33)31-37(2,35)36;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)30-16-31-24(17)26(35)32-12-9-20(10-13-32)33-11-3-5-19(15-33)25(29)34;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)29-16-30-24(17)25(33)31-12-9-20(10-13-31)32-11-3-5-19(15-32)26(34)35/h8-9,18-19,22-23H,4-7,10-17H2,1-3H3;9-10,16,18,21-22H,4-8,11-15,17H2,1-3H3;8-9,15,17,20-21H,3-7,10-14,16H2,1-2H3,(H,30,35);8-9,15,17,20-21,31H,3-7,10-14,16H2,1-2H3;7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H2,29,34);7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H,34,35)/t;21-;2*20-;2*19-/m.00100/s1
InChIKeyWFYLCTBHELBIFG-AWNDNXDYSA-N
MW3282.22 g/mol
LogP26.24
Rot. Bonds45

About (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide

(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 161493913) has the molecular formula C161H211Cl12N29O15S2 and a molecular weight of 3282.22 g/mol. Its IUPAC name is (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide
PubChem CID161493913
Molecular FormulaC161H211Cl12N29O15S2
Molecular Weight3282.22 g/mol
Exact Mass3274.23
IUPAC Name(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCCN(C1CCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.CNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@@H](NS(C)(=O)=O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)N(C)C)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C28H39Cl2N5O3S.C28H37Cl2N5O2.C27H35Cl2N5O2.C26H35Cl2N5O3S.C26H33Cl2N5O2.C26H32Cl2N4O3/c1-4-35(39(3,37)38)23-12-14-33(15-13-23)22-10-16-34(17-11-22)28(36)27-20(2)26(31-19-32-27)7-5-6-21-8-9-24(29)25(30)18-21;1-19-25(8-4-6-20-9-10-23(29)24(30)16-20)31-18-32-26(19)28(37)34-14-11-22(12-15-34)35-13-5-7-21(17-35)27(36)33(2)3;1-18-24(7-3-5-19-8-9-22(28)23(29)15-19)31-17-32-25(18)27(36)33-13-10-21(11-14-33)34-12-4-6-20(16-34)26(35)30-2;1-18-24(7-3-5-19-8-9-22(27)23(28)15-19)29-17-30-25(18)26(34)32-13-10-21(11-14-32)33-12-4-6-20(16-33)31-37(2,35)36;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)30-16-31-24(17)26(35)32-12-9-20(10-13-32)33-11-3-5-19(15-33)25(29)34;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)29-16-30-24(17)25(33)31-12-9-20(10-13-31)32-11-3-5-19(15-32)26(34)35/h8-9,18-19,22-23H,4-7,10-17H2,1-3H3;9-10,16,18,21-22H,4-8,11-15,17H2,1-3H3;8-9,15,17,20-21H,3-7,10-14,16H2,1-2H3,(H,30,35);8-9,15,17,20-21,31H,3-7,10-14,16H2,1-2H3;7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H2,29,34);7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H,34,35)/t;21-;2*20-;2*19-/m.00100/s1
InChIKeyWFYLCTBHELBIFG-AWNDNXDYSA-N
XLogP26.24
TPSA509.33 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds45
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003282.22
LogP ≤ 526.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 159483147
N-[(3S)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 159438562
N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 77453597
1-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propan-1-one
CID 147567227
1-[1-[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 77453600
N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide
CID 158918075
1-[1-[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 77453664
[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 152952372
[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 90429274
N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 58035340
N-methyl-N-[1-[1-[5-methyl-6-[2-[(1S,3S)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 149103037
[6-[(3,4-dichlorophenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone
CID 46834033

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide (CID 161493913) is (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide is CCN(C1CCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.CNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ncnc(CCCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@@H](NS(C)(=O)=O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)N(C)C)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(=O)O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC[C@H](C(N)=O)C2)CC1.
What is the InChIKey of (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WFYLCTBHELBIFG-AWNDNXDYSA-N. The full InChI is InChI=1S/C28H39Cl2N5O3S.C28H37Cl2N5O2.C27H35Cl2N5O2.C26H35Cl2N5O3S.C26H33Cl2N5O2.C26H32Cl2N4O3/c1-4-35(39(3,37)38)23-12-14-33(15-13-23)22-10-16-34(17-11-22)28(36)27-20(2)26(31-19-32-27)7-5-6-21-8-9-24(29)25(30)18-21;1-19-25(8-4-6-20-9-10-23(29)24(30)16-20)31-18-32-26(19)28(37)34-14-11-22(12-15-34)35-13-5-7-21(17-35)27(36)33(2)3;1-18-24(7-3-5-19-8-9-22(28)23(29)15-19)31-17-32-25(18)27(36)33-13-10-21(11-14-33)34-12-4-6-20(16-34)26(35)30-2;1-18-24(7-3-5-19-8-9-22(27)23(28)15-19)29-17-30-25(18)26(34)32-13-10-21(11-14-32)33-12-4-6-20(16-33)31-37(2,35)36;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)30-16-31-24(17)26(35)32-12-9-20(10-13-32)33-11-3-5-19(15-33)25(29)34;1-17-23(6-2-4-18-7-8-21(27)22(28)14-18)29-16-30-24(17)25(33)31-12-9-20(10-13-31)32-11-3-5-19(15-32)26(34)35/h8-9,18-19,22-23H,4-7,10-17H2,1-3H3;9-10,16,18,21-22H,4-8,11-15,17H2,1-3H3;8-9,15,17,20-21H,3-7,10-14,16H2,1-2H3,(H,30,35);8-9,15,17,20-21,31H,3-7,10-14,16H2,1-2H3;7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H2,29,34);7-8,14,16,19-20H,2-6,9-13,15H2,1H3,(H,34,35)/t;21-;2*20-;2*19-/m.00100/s1.
What are the key properties of (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide?
(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 3282.22 g/mol, XLogP of 26.24, 45 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxamide;(3S)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;N-[(3R)-1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 161493913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).