3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

C133H150Cl7FN20O17S3 — CID 159105884

IUPAC3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
SMILESCOc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCc3ccccc3F)CC2)c(NC(=O)c2cccc(Cl)c2)c1.C[C@@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.C[C@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.Cc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C28H31ClN4O5S.C28H31ClN4O4S.C27H28ClFN4O4S.2C25H30Cl2N4O2/c1-38-23-8-3-5-20(13-23)17-30-26(34)14-19-9-11-33(12-10-19)27-25(16-24(18-31-27)39(2,36)37)32-28(35)21-6-4-7-22(29)15-21;1-19-5-3-6-21(13-19)17-30-26(34)14-20-9-11-33(12-10-20)27-25(16-24(18-31-27)38(2,36)37)32-28(35)22-7-4-8-23(29)15-22;1-38(36,37)22-15-24(32-27(35)19-6-4-7-21(28)14-19)26(31-17-22)33-11-9-18(10-12-33)13-25(34)30-16-20-5-2-3-8-23(20)29;2*1-17-5-2-3-10-31(17)23(32)13-18-8-11-30(12-9-18)24-22(15-21(27)16-28-24)29-25(33)19-6-4-7-20(26)14-19/h3-8,13,15-16,18-19H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);3-8,13,15-16,18,20H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);2-8,14-15,17-18H,9-13,16H2,1H3,(H,30,34)(H,32,35);2*4,6-7,14-18H,2-3,5,8-13H2,1H3,(H,29,33)/t;;;2*17-/m...10/s1
InChIKeyKDWLTCPQTCQYGO-UWQCYELQSA-N
MW2664.16 g/mol
LogP24.69
Rot. Bonds35

About 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (PubChem CID 159105884) has the molecular formula C133H150Cl7FN20O17S3 and a molecular weight of 2664.16 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
PubChem CID159105884
Molecular FormulaC133H150Cl7FN20O17S3
Molecular Weight2664.16 g/mol
Exact Mass2658.85
IUPAC Name3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
SMILESCOc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCc3ccccc3F)CC2)c(NC(=O)c2cccc(Cl)c2)c1.C[C@@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.C[C@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.Cc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C28H31ClN4O5S.C28H31ClN4O4S.C27H28ClFN4O4S.2C25H30Cl2N4O2/c1-38-23-8-3-5-20(13-23)17-30-26(34)14-19-9-11-33(12-10-19)27-25(16-24(18-31-27)39(2,36)37)32-28(35)21-6-4-7-22(29)15-21;1-19-5-3-6-21(13-19)17-30-26(34)14-20-9-11-33(12-10-20)27-25(16-24(18-31-27)38(2,36)37)32-28(35)22-7-4-8-23(29)15-22;1-38(36,37)22-15-24(32-27(35)19-6-4-7-21(28)14-19)26(31-17-22)33-11-9-18(10-12-33)13-25(34)30-16-20-5-2-3-8-23(20)29;2*1-17-5-2-3-10-31(17)23(32)13-18-8-11-30(12-9-18)24-22(15-21(27)16-28-24)29-25(33)19-6-4-7-20(26)14-19/h3-8,13,15-16,18-19H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);3-8,13,15-16,18,20H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);2-8,14-15,17-18H,9-13,16H2,1H3,(H,30,34)(H,32,35);2*4,6-7,14-18H,2-3,5,8-13H2,1H3,(H,29,33)/t;;;2*17-/m...10/s1
InChIKeyKDWLTCPQTCQYGO-UWQCYELQSA-N
XLogP24.69
TPSA465.72 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.16
LogP ≤ 524.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (CID 159105884) is 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is COc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCc3ccccc3F)CC2)c(NC(=O)c2cccc(Cl)c2)c1.C[C@@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.C[C@H]1CCCCN1C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.Cc1cccc(CNC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
The InChIKey is KDWLTCPQTCQYGO-UWQCYELQSA-N. The full InChI is InChI=1S/C28H31ClN4O5S.C28H31ClN4O4S.C27H28ClFN4O4S.2C25H30Cl2N4O2/c1-38-23-8-3-5-20(13-23)17-30-26(34)14-19-9-11-33(12-10-19)27-25(16-24(18-31-27)39(2,36)37)32-28(35)21-6-4-7-22(29)15-21;1-19-5-3-6-21(13-19)17-30-26(34)14-20-9-11-33(12-10-20)27-25(16-24(18-31-27)38(2,36)37)32-28(35)22-7-4-8-23(29)15-22;1-38(36,37)22-15-24(32-27(35)19-6-4-7-21(28)14-19)26(31-17-22)33-11-9-18(10-12-33)13-25(34)30-16-20-5-2-3-8-23(20)29;2*1-17-5-2-3-10-31(17)23(32)13-18-8-11-30(12-9-18)24-22(15-21(27)16-28-24)29-25(33)19-6-4-7-20(26)14-19/h3-8,13,15-16,18-19H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);3-8,13,15-16,18,20H,9-12,14,17H2,1-2H3,(H,30,34)(H,32,35);2-8,14-15,17-18H,9-13,16H2,1H3,(H,30,34)(H,32,35);2*4,6-7,14-18H,2-3,5,8-13H2,1H3,(H,29,33)/t;;;2*17-/m...10/s1.
What are the key properties of 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?
3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide has a molecular weight of 2664.16 g/mol, XLogP of 24.69, 35 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is sourced from PubChem (CID 159105884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).