3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

C103H125Cl6N17O10S2 — CID 159604670

About 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide

3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (PubChem CID 159604670) has the molecular formula C103H125Cl6N17O10S2 and a molecular weight of 2038.09 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
• PubChem CID: 159604670
• Molecular Formula: C103H125Cl6N17O10S2
• Molecular Weight: 2038.09 g/mol
• Exact Mass: 2033.74
• IUPAC Name: 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
• SMILES: CN1CCCN(CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)N[C@@H]3CCc4ccccc43)CC2)c(NC(=O)c2cccc(Cl)c2)c1.C[C@@H]1CCC[C@H](C)N1CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C29H31ClN4O4S.C25H32Cl2N4O.C25H31ClN4O4S.C24H31Cl2N5O/c1-39(37,38)23-17-26(33-29(36)21-6-4-7-22(30)16-21)28(31-18-23)34-13-11-19(12-14-34)15-27(35)32-25-10-9-20-5-2-3-8-24(20)25;1-17-5-3-6-18(2)31(17)16-19-9-11-30(12-10-19)24-23(14-22(27)15-28-24)29-25(32)20-7-4-8-21(26)13-20;1-35(33,34)21-15-22(29-25(32)18-5-4-6-19(26)14-18)24(27-16-21)30-11-9-17(10-12-30)13-23(31)28-20-7-2-3-8-20;1-29-8-3-9-30(13-12-29)17-18-6-10-31(11-7-18)23-22(15-21(26)16-27-23)28-24(32)19-4-2-5-20(25)14-19/h2-8,16-19,25H,9-15H2,1H3,(H,32,35)(H,33,36);4,7-8,13-15,17-19H,3,5-6,9-12,16H2,1-2H3,(H,29,32);4-6,14-17,20H,2-3,7-13H2,1H3,(H,28,31)(H,29,32);2,4-5,14-16,18H,3,6-13,17H2,1H3,(H,28,32)/t25-;17-,18+;;/m1.../s1
• InChIKey: MLXUTJGVJZGOGD-LBEJOWRQSA-N
• XLogP: 19.47
• TPSA: 317.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.09
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The IUPAC name of 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide (CID 159604670) is 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide.

What is the SMILES notation for 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The canonical SMILES for 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is CN1CCCN(CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)NC3CCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1.CS(=O)(=O)c1cnc(N2CCC(CC(=O)N[C@@H]3CCc4ccccc43)CC2)c(NC(=O)c2cccc(Cl)c2)c1.C[C@@H]1CCC[C@H](C)N1CC1CCN(c2ncc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1.

What is the InChIKey of 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

The InChIKey is MLXUTJGVJZGOGD-LBEJOWRQSA-N. The full InChI is InChI=1S/C29H31ClN4O4S.C25H32Cl2N4O.C25H31ClN4O4S.C24H31Cl2N5O/c1-39(37,38)23-17-26(33-29(36)21-6-4-7-22(30)16-21)28(31-18-23)34-13-11-19(12-14-34)15-27(35)32-25-10-9-20-5-2-3-8-24(20)25;1-17-5-3-6-18(2)31(17)16-19-9-11-30(12-10-19)24-23(14-22(27)15-28-24)29-25(32)20-7-4-8-21(26)13-20;1-35(33,34)21-15-22(29-25(32)18-5-4-6-19(26)14-18)24(27-16-21)30-11-9-17(10-12-30)13-23(31)28-20-7-2-3-8-20;1-29-8-3-9-30(13-12-29)17-18-6-10-31(11-7-18)23-22(15-21(26)16-27-23)28-24(32)19-4-2-5-20(25)14-19/h2-8,16-19,25H,9-15H2,1H3,(H,32,35)(H,33,36);4,7-8,13-15,17-19H,3,5-6,9-12,16H2,1-2H3,(H,29,32);4-6,14-17,20H,2-3,7-13H2,1H3,(H,28,31)(H,29,32);2,4-5,14-16,18H,3,6-13,17H2,1H3,(H,28,32)/t25-;17-,18+;;/m1.../s1.

What are the key properties of 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide?

3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide has a molecular weight of 2038.09 g/mol, XLogP of 19.47, 24 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-chloro-2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(cyclopentylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide is sourced from PubChem (CID 159604670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).