N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C135H165Cl5F6N22O15S2 — CID 161311052

About N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 161311052) has the molecular formula C135H165Cl5F6N22O15S2 and a molecular weight of 2691.33 g/mol. Its IUPAC name is N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 161311052
• Molecular Formula: C135H165Cl5F6N22O15S2
• Molecular Weight: 2691.33 g/mol
• Exact Mass: 2687.06
• IUPAC Name: N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
• SMILES: CC(=O)N1CCC[C@H](CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1.CN1CCCC(CC(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)C1.CN1CCCN(C(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CN1CCC[C@@H](CC(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)C1.CN1CCC[C@H](CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1
• InChI: InChI=1S/C29H35F3N4O5S.C28H35F3N4O4S.2C26H32Cl2N4O2.C26H31ClN6O2/c1-19(37)36-10-4-5-21(18-36)14-24(38)13-20-8-11-35(12-9-20)27-26(16-25(17-33-27)42(2,40)41)34-28(39)22-6-3-7-23(15-22)29(30,31)32;1-34-10-4-5-20(18-34)14-23(36)13-19-8-11-35(12-9-19)26-25(16-24(17-32-26)40(2,38)39)33-27(37)21-6-3-7-22(15-21)28(29,30)31;2*1-31-9-3-4-19(17-31)13-23(33)12-18-7-10-32(11-8-18)25-24(15-22(28)16-29-25)30-26(34)20-5-2-6-21(27)14-20;1-31-8-3-9-32(13-12-31)24(34)15-19-6-10-33(11-7-19)25-23(14-20(17-28)18-29-25)30-26(35)21-4-2-5-22(27)16-21/h3,6-7,15-17,20-21H,4-5,8-14,18H2,1-2H3,(H,34,39);3,6-7,15-17,19-20H,4-5,8-14,18H2,1-2H3,(H,33,37);2*2,5-6,14-16,18-19H,3-4,7-13,17H2,1H3,(H,30,34);2,4-5,14,16,18-19H,3,6-13,15H2,1H3,(H,30,35)/t21-;20-;19-;;/m110../s1
• InChIKey: VIWVVVWUJBFKJN-UWLBSYLISA-N
• XLogP: 23.97
• TPSA: 440.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2691.33
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 161311052) is N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CC(=O)N1CCC[C@H](CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1.CN1CCCC(CC(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)C1.CN1CCCN(C(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CN1CCC[C@@H](CC(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)C1.CN1CCC[C@H](CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1.

What is the InChIKey of N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The InChIKey is VIWVVVWUJBFKJN-UWLBSYLISA-N. The full InChI is InChI=1S/C29H35F3N4O5S.C28H35F3N4O4S.2C26H32Cl2N4O2.C26H31ClN6O2/c1-19(37)36-10-4-5-21(18-36)14-24(38)13-20-8-11-35(12-9-20)27-26(16-25(17-33-27)42(2,40)41)34-28(39)22-6-3-7-23(15-22)29(30,31)32;1-34-10-4-5-20(18-34)14-23(36)13-19-8-11-35(12-9-19)26-25(16-24(17-32-26)40(2,38)39)33-27(37)21-6-3-7-22(15-21)28(29,30)31;2*1-31-9-3-4-19(17-31)13-23(33)12-18-7-10-32(11-8-18)25-24(15-22(28)16-29-25)30-26(34)20-5-2-6-21(27)14-20;1-31-8-3-9-32(13-12-31)24(34)15-19-6-10-33(11-7-19)25-23(14-20(17-28)18-29-25)30-26(35)21-4-2-5-22(27)16-21/h3,6-7,15-17,20-21H,4-5,8-14,18H2,1-2H3,(H,34,39);3,6-7,15-17,19-20H,4-5,8-14,18H2,1-2H3,(H,33,37);2*2,5-6,14-16,18-19H,3-4,7-13,17H2,1H3,(H,30,34);2,4-5,14,16,18-19H,3,6-13,15H2,1H3,(H,30,35)/t21-;20-;19-;;/m110../s1.

What are the key properties of N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?

N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2691.33 g/mol, XLogP of 23.97, 35 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161311052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).