1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide

C174H250Cl2N30O16S3 — CID 159854397

IUPAC1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CNS(=O)(=O)C1CCN(C2CCN(C(=O)c3nc(C)nc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.COC1CN(C(=O)c2ncnc(CCc3ccc(C(C)(C)C)cc3)c2C)CCC1N1CCC(N(C)S(C)(=O)=O)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CC[C@@H](C(N)=O)C2)CC1
InChIInChI=1S/C31H47N5O4S.2C30H45N5O3S.C30H43N5O2.C28H39N5O2.C25H31Cl2N5O2/c1-22-26(13-10-23-8-11-24(12-9-23)31(2,3)4)32-21-33-29(22)30(37)36-19-16-27(28(20-36)40-6)35-17-14-25(15-18-35)34(5)41(7,38)39;1-21-27(12-9-23-7-10-24(11-8-23)30(3,4)5)32-22(2)33-28(21)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)31-6;1-6-39(37,38)33-25-13-17-34(18-14-25)26-15-19-35(20-16-26)29(36)28-22(2)27(31-21-32-28)12-9-23-7-10-24(11-8-23)30(3,4)5;1-21-26(11-8-22-6-9-24(10-7-22)30(2,3)4)32-20-33-27(21)29(37)35-18-14-25(15-19-35)34-16-12-23(13-17-34)28(36)31-5;1-19-24(10-7-20-5-8-22(9-6-20)28(2,3)4)30-18-31-25(19)27(35)32-15-12-23(13-16-32)33-14-11-21(17-33)26(29)34;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h8-9,11-12,21,25,27-28H,10,13-20H2,1-7H3;7-8,10-11,25-26,31H,9,12-20H2,1-6H3;7-8,10-11,21,25-26,33H,6,9,12-20H2,1-5H3;6-7,9-10,20,23,25H,8,11-19H2,1-5H3,(H,31,36);5-6,8-9,18,21,23H,7,10-17H2,1-4H3,(H2,29,34);3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;;21-;18-/m....11/s1
InChIKeyNQIMIILDLYCDLB-FULVXWDMSA-N
MW3185.21 g/mol
LogP21.88
Rot. Bonds41

About 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide

1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 159854397) has the molecular formula C174H250Cl2N30O16S3 and a molecular weight of 3185.21 g/mol. Its IUPAC name is 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID159854397
Molecular FormulaC174H250Cl2N30O16S3
Molecular Weight3185.21 g/mol
Exact Mass3181.82
IUPAC Name1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CNS(=O)(=O)C1CCN(C2CCN(C(=O)c3nc(C)nc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.COC1CN(C(=O)c2ncnc(CCc3ccc(C(C)(C)C)cc3)c2C)CCC1N1CCC(N(C)S(C)(=O)=O)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CC[C@@H](C(N)=O)C2)CC1
InChIInChI=1S/C31H47N5O4S.2C30H45N5O3S.C30H43N5O2.C28H39N5O2.C25H31Cl2N5O2/c1-22-26(13-10-23-8-11-24(12-9-23)31(2,3)4)32-21-33-29(22)30(37)36-19-16-27(28(20-36)40-6)35-17-14-25(15-18-35)34(5)41(7,38)39;1-21-27(12-9-23-7-10-24(11-8-23)30(3,4)5)32-22(2)33-28(21)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)31-6;1-6-39(37,38)33-25-13-17-34(18-14-25)26-15-19-35(20-16-26)29(36)28-22(2)27(31-21-32-28)12-9-23-7-10-24(11-8-23)30(3,4)5;1-21-26(11-8-22-6-9-24(10-7-22)30(2,3)4)32-20-33-27(21)29(37)35-18-14-25(15-19-35)34-16-12-23(13-17-34)28(36)31-5;1-19-24(10-7-20-5-8-22(9-6-20)28(2,3)4)30-18-31-25(19)27(35)32-15-12-23(13-16-32)33-14-11-21(17-33)26(29)34;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h8-9,11-12,21,25,27-28H,10,13-20H2,1-7H3;7-8,10-11,25-26,31H,9,12-20H2,1-6H3;7-8,10-11,21,25-26,33H,6,9,12-20H2,1-5H3;6-7,9-10,20,23,25H,8,11-19H2,1-5H3,(H,31,36);5-6,8-9,18,21,23H,7,10-17H2,1-4H3,(H2,29,34);3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;;21-;18-/m....11/s1
InChIKeyNQIMIILDLYCDLB-FULVXWDMSA-N
XLogP21.88
TPSA536.22 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003185.21
LogP ≤ 521.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide (CID 159854397) is 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide is CCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CNS(=O)(=O)C1CCN(C2CCN(C(=O)c3nc(C)nc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.COC1CN(C(=O)c2ncnc(CCc3ccc(C(C)(C)C)cc3)c2C)CCC1N1CCC(N(C)S(C)(=O)=O)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CC[C@@H](C(N)=O)C2)CC1.
What is the InChIKey of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is NQIMIILDLYCDLB-FULVXWDMSA-N. The full InChI is InChI=1S/C31H47N5O4S.2C30H45N5O3S.C30H43N5O2.C28H39N5O2.C25H31Cl2N5O2/c1-22-26(13-10-23-8-11-24(12-9-23)31(2,3)4)32-21-33-29(22)30(37)36-19-16-27(28(20-36)40-6)35-17-14-25(15-18-35)34(5)41(7,38)39;1-21-27(12-9-23-7-10-24(11-8-23)30(3,4)5)32-22(2)33-28(21)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)31-6;1-6-39(37,38)33-25-13-17-34(18-14-25)26-15-19-35(20-16-26)29(36)28-22(2)27(31-21-32-28)12-9-23-7-10-24(11-8-23)30(3,4)5;1-21-26(11-8-22-6-9-24(10-7-22)30(2,3)4)32-20-33-27(21)29(37)35-18-14-25(15-19-35)34-16-12-23(13-17-34)28(36)31-5;1-19-24(10-7-20-5-8-22(9-6-20)28(2,3)4)30-18-31-25(19)27(35)32-15-12-23(13-16-32)33-14-11-21(17-33)26(29)34;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h8-9,11-12,21,25,27-28H,10,13-20H2,1-7H3;7-8,10-11,25-26,31H,9,12-20H2,1-6H3;7-8,10-11,21,25-26,33H,6,9,12-20H2,1-5H3;6-7,9-10,20,23,25H,8,11-19H2,1-5H3,(H,31,36);5-6,8-9,18,21,23H,7,10-17H2,1-4H3,(H2,29,34);3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;;21-;18-/m....11/s1.
What are the key properties of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 3185.21 g/mol, XLogP of 21.88, 41 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-sulfonamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]-3-methoxypiperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 159854397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).