N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

C133H159Cl7N20O16S3 — CID 158682033

About N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (PubChem CID 158682033) has the molecular formula C133H159Cl7N20O16S3 and a molecular weight of 2638.23 g/mol. Its IUPAC name is N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
• PubChem CID: 158682033
• Molecular Formula: C133H159Cl7N20O16S3
• Molecular Weight: 2638.23 g/mol
• Exact Mass: 2632.92
• IUPAC Name: N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
• SMILES: CC(C)(CC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccccc1.CC(C)CNC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CC1CCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CCN(Cc1ccccc1)C(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CN1CCCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1
• InChI: InChI=1S/C30H34ClN3O4S.C29H33ClN4O4S.C25H31Cl2N5O2.C25H30Cl2N4O2.C24H31ClN4O4S/c1-30(2,23-9-5-4-6-10-23)19-25(35)16-21-12-14-34(15-13-21)28-27(18-26(20-32-28)39(3,37)38)33-29(36)22-8-7-11-24(31)17-22;1-3-33(20-22-8-5-4-6-9-22)27(35)16-21-12-14-34(15-13-21)28-26(18-25(19-31-28)39(2,37)38)32-29(36)23-10-7-11-24(30)17-23;1-30-8-3-9-31(13-12-30)23(33)14-18-6-10-32(11-7-18)24-22(16-21(27)17-28-24)29-25(34)19-4-2-5-20(26)15-19;1-17-5-9-30(10-6-17)23(32)13-18-7-11-31(12-8-18)24-22(15-21(27)16-28-24)29-25(33)19-3-2-4-20(26)14-19;1-16(2)14-26-22(30)11-17-7-9-29(10-8-17)23-21(13-20(15-27-23)34(3,32)33)28-24(31)18-5-4-6-19(25)12-18/h4-11,17-18,20-21H,12-16,19H2,1-3H3,(H,33,36);4-11,17-19,21H,3,12-16,20H2,1-2H3,(H,32,36);2,4-5,15-18H,3,6-14H2,1H3,(H,29,34);2-4,14-18H,5-13H2,1H3,(H,29,33);4-6,12-13,15-17H,7-11,14H2,1-3H3,(H,26,30)(H,28,31)
• InChIKey: IFGHPAJHCHNUHO-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 438.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.23
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The IUPAC name of N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (CID 158682033) is N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

What is the SMILES notation for N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The canonical SMILES for N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is CC(C)(CC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccccc1.CC(C)CNC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CC1CCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CCN(Cc1ccccc1)C(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CN1CCCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.

What is the InChIKey of N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The InChIKey is IFGHPAJHCHNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O4S.C29H33ClN4O4S.C25H31Cl2N5O2.C25H30Cl2N4O2.C24H31ClN4O4S/c1-30(2,23-9-5-4-6-10-23)19-25(35)16-21-12-14-34(15-13-21)28-27(18-26(20-32-28)39(3,37)38)33-29(36)22-8-7-11-24(31)17-22;1-3-33(20-22-8-5-4-6-9-22)27(35)16-21-12-14-34(15-13-21)28-26(18-25(19-31-28)39(2,37)38)32-29(36)23-10-7-11-24(30)17-23;1-30-8-3-9-31(13-12-30)23(33)14-18-6-10-32(11-7-18)24-22(16-21(27)17-28-24)29-25(34)19-4-2-5-20(26)15-19;1-17-5-9-30(10-6-17)23(32)13-18-7-11-31(12-8-18)24-22(15-21(27)16-28-24)29-25(33)19-3-2-4-20(26)14-19;1-16(2)14-26-22(30)11-17-7-9-29(10-8-17)23-21(13-20(15-27-23)34(3,32)33)28-24(31)18-5-4-6-19(25)12-18/h4-11,17-18,20-21H,12-16,19H2,1-3H3,(H,33,36);4-11,17-19,21H,3,12-16,20H2,1-2H3,(H,32,36);2,4-5,15-18H,3,6-14H2,1H3,(H,29,34);2-4,14-18H,5-13H2,1H3,(H,29,33);4-6,12-13,15-17H,7-11,14H2,1-3H3,(H,26,30)(H,28,31).

What are the key properties of N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide has a molecular weight of 2638.23 g/mol, XLogP of 24.67, 36 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is sourced from PubChem (CID 158682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).