1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone

C163H216Cl10N28O16S3 — CID 159648062

IUPAC1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CCC(=O)C1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CO[C@@H]1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC[C@H]1CS(C)(=O)=O.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(S(=O)(=O)N(C)C)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(N3CCCC3=O)CC2)CC1
InChIInChI=1S/C30H45N5O3S.C28H35Cl2N5O2.C27H35Cl2N5O2.C27H36Cl2N4O4S.C26H35Cl2N5O3S.C25H30Cl2N4O2/c1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)33(5)6;1-19-25(7-5-20-4-6-23(29)24(30)17-20)31-18-32-27(19)28(37)34-15-8-21(9-16-34)33-13-10-22(11-14-33)35-12-2-3-26(35)36;1-18-25(7-5-20-4-6-23(28)24(29)16-20)30-17-31-26(18)27(36)34-14-10-22(11-15-34)33-12-8-21(9-13-33)32(3)19(2)35;1-18-24(7-5-19-4-6-22(28)23(29)14-19)30-17-31-26(18)27(34)32-12-9-21(10-13-32)33-11-8-20(16-38(3,35)36)25(15-33)37-2;1-3-37(35,36)31-20-8-12-32(13-9-20)21-10-14-33(15-11-21)26(34)25-18(2)24(29-17-30-25)7-5-19-4-6-22(27)23(28)16-19;1-3-23(32)18-13-31(14-18)19-8-10-30(11-9-19)25(33)24-16(2)22(28-15-29-24)7-5-17-4-6-20(26)21(27)12-17/h7-8,10-11,21,25-26H,9,12-20H2,1-6H3;4,6,17-18,21-22H,2-3,5,7-16H2,1H3;4,6,16-17,21-22H,5,7-15H2,1-3H3;4,6,14,17,20-21,25H,5,7-13,15-16H2,1-3H3;4,6,16-17,20-21,31H,3,5,7-15H2,1-2H3;4,6,12,15,18-19H,3,5,7-11,13-14H2,1-2H3/t;;;20-,25+;;/m...0../s1
InChIKeyMREZPMZHLXIHIY-BNVMZVQDSA-N
MW3274.43 g/mol
LogP24.96
Rot. Bonds42

About 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone

1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 159648062) has the molecular formula C163H216Cl10N28O16S3 and a molecular weight of 3274.43 g/mol. Its IUPAC name is 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID159648062
Molecular FormulaC163H216Cl10N28O16S3
Molecular Weight3274.43 g/mol
Exact Mass3267.30
IUPAC Name1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CCC(=O)C1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CO[C@@H]1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC[C@H]1CS(C)(=O)=O.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(S(=O)(=O)N(C)C)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(N3CCCC3=O)CC2)CC1
InChIInChI=1S/C30H45N5O3S.C28H35Cl2N5O2.C27H35Cl2N5O2.C27H36Cl2N4O4S.C26H35Cl2N5O3S.C25H30Cl2N4O2/c1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)33(5)6;1-19-25(7-5-20-4-6-23(29)24(30)17-20)31-18-32-27(19)28(37)34-15-8-21(9-16-34)33-13-10-22(11-14-33)35-12-2-3-26(35)36;1-18-25(7-5-20-4-6-23(28)24(29)16-20)30-17-31-26(18)27(36)34-14-10-22(11-15-34)33-12-8-21(9-13-33)32(3)19(2)35;1-18-24(7-5-19-4-6-22(28)23(29)14-19)30-17-31-26(18)27(34)32-12-9-21(10-13-32)33-11-8-20(16-38(3,35)36)25(15-33)37-2;1-3-37(35,36)31-20-8-12-32(13-9-20)21-10-14-33(15-11-21)26(34)25-18(2)24(29-17-30-25)7-5-19-4-6-22(27)23(28)16-19;1-3-23(32)18-13-31(14-18)19-8-10-30(11-9-19)25(33)24-16(2)22(28-15-29-24)7-5-17-4-6-20(26)21(27)12-17/h7-8,10-11,21,25-26H,9,12-20H2,1-6H3;4,6,17-18,21-22H,2-3,5,7-16H2,1H3;4,6,16-17,21-22H,5,7-15H2,1-3H3;4,6,14,17,20-21,25H,5,7-13,15-16H2,1-3H3;4,6,16-17,20-21,31H,3,5,7-15H2,1-2H3;4,6,12,15,18-19H,3,5,7-11,13-14H2,1-2H3/t;;;20-,25+;;/m...0../s1
InChIKeyMREZPMZHLXIHIY-BNVMZVQDSA-N
XLogP24.96
TPSA480.59 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003274.43
LogP ≤ 524.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 159648062) is 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone is CC(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CCC(=O)C1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)C1.CCS(=O)(=O)NC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1.CO[C@@H]1CN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC[C@H]1CS(C)(=O)=O.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(S(=O)(=O)N(C)C)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(N3CCCC3=O)CC2)CC1.
What is the InChIKey of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is MREZPMZHLXIHIY-BNVMZVQDSA-N. The full InChI is InChI=1S/C30H45N5O3S.C28H35Cl2N5O2.C27H35Cl2N5O2.C27H36Cl2N4O4S.C26H35Cl2N5O3S.C25H30Cl2N4O2/c1-22-27(12-9-23-7-10-24(11-8-23)30(2,3)4)31-21-32-28(22)29(36)35-17-13-25(14-18-35)34-19-15-26(16-20-34)39(37,38)33(5)6;1-19-25(7-5-20-4-6-23(29)24(30)17-20)31-18-32-27(19)28(37)34-15-8-21(9-16-34)33-13-10-22(11-14-33)35-12-2-3-26(35)36;1-18-25(7-5-20-4-6-23(28)24(29)16-20)30-17-31-26(18)27(36)34-14-10-22(11-15-34)33-12-8-21(9-13-33)32(3)19(2)35;1-18-24(7-5-19-4-6-22(28)23(29)14-19)30-17-31-26(18)27(34)32-12-9-21(10-13-32)33-11-8-20(16-38(3,35)36)25(15-33)37-2;1-3-37(35,36)31-20-8-12-32(13-9-20)21-10-14-33(15-11-21)26(34)25-18(2)24(29-17-30-25)7-5-19-4-6-22(27)23(28)16-19;1-3-23(32)18-13-31(14-18)19-8-10-30(11-9-19)25(33)24-16(2)22(28-15-29-24)7-5-17-4-6-20(26)21(27)12-17/h7-8,10-11,21,25-26H,9,12-20H2,1-6H3;4,6,17-18,21-22H,2-3,5,7-16H2,1H3;4,6,16-17,21-22H,5,7-15H2,1-3H3;4,6,14,17,20-21,25H,5,7-13,15-16H2,1-3H3;4,6,16-17,20-21,31H,3,5,7-15H2,1-2H3;4,6,12,15,18-19H,3,5,7-11,13-14H2,1-2H3/t;;;20-,25+;;/m...0../s1.
What are the key properties of 1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone?
1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 3274.43 g/mol, XLogP of 24.96, 42 rotatable bonds, 1 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]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N,N-dimethylpiperidine-4-sulfonamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]azetidin-3-yl]propan-1-one;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide;1-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]pyrrolidin-2-one;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159648062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).