1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C128H153Cl5N20O4 — CID 158711436

About 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 158711436) has the molecular formula C128H153Cl5N20O4 and a molecular weight of 2213.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
• PubChem CID: 158711436
• Molecular Formula: C128H153Cl5N20O4
• Molecular Weight: 2213.03 g/mol
• Exact Mass: 2209.08
• IUPAC Name: 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
• SMILES: CC(C)N1CCC(CC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCC(CC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.Clc1ccc(-n2cc(C3CCN(CC4CCNCC4)CC3)c3ccncc32)cc1.O=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C28H35ClN4O.C26H31ClN4O.2C25H29ClN4O.C24H29ClN4/c1-20(2)31-13-8-21(9-14-31)17-28(34)32-15-10-22(11-16-32)26-19-33(24-5-3-23(29)4-6-24)27-18-30-12-7-25(26)27;1-29-12-7-19(8-13-29)16-26(32)30-14-9-20(10-15-30)24-18-31(22-4-2-21(27)3-5-22)25-17-28-11-6-23(24)25;2*26-20-1-3-21(4-2-20)30-17-23(22-7-12-28-16-24(22)30)19-8-13-29(14-9-19)25(31)15-18-5-10-27-11-6-18;25-20-1-3-21(4-2-20)29-17-23(22-7-12-27-15-24(22)29)19-8-13-28(14-9-19)16-18-5-10-26-11-6-18/h3-7,12,18-22H,8-11,13-17H2,1-2H3;2-6,11,17-20H,7-10,12-16H2,1H3;2*1-4,7,12,16-19,27H,5-6,8-11,13-15H2;1-4,7,12,15,17-19,26H,5-6,8-11,13-14,16H2
• InChIKey: IITTVMYUFZIVTA-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 216.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.03
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?

The IUPAC name of 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 158711436) is 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(CC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCC(CC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.Clc1ccc(-n2cc(C3CCN(CC4CCNCC4)CC3)c3ccncc32)cc1.O=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?

The InChIKey is IITTVMYUFZIVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O.C26H31ClN4O.2C25H29ClN4O.C24H29ClN4/c1-20(2)31-13-8-21(9-14-31)17-28(34)32-15-10-22(11-16-32)26-19-33(24-5-3-23(29)4-6-24)27-18-30-12-7-25(26)27;1-29-12-7-19(8-13-29)16-26(32)30-14-9-20(10-15-30)24-18-31(22-4-2-21(27)3-5-22)25-17-28-11-6-23(24)25;2*26-20-1-3-21(4-2-20)30-17-23(22-7-12-28-16-24(22)30)19-8-13-29(14-9-19)25(31)15-18-5-10-27-11-6-18;25-20-1-3-21(4-2-20)29-17-23(22-7-12-27-15-24(22)29)19-8-13-28(14-9-19)16-18-5-10-26-11-6-18/h3-7,12,18-22H,8-11,13-17H2,1-2H3;2-6,11,17-20H,7-10,12-16H2,1H3;2*1-4,7,12,16-19,27H,5-6,8-11,13-15H2;1-4,7,12,15,17-19,26H,5-6,8-11,13-14,16H2.

What are the key properties of 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?

1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 2213.03 g/mol, XLogP of 25.42, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone;bis(1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 158711436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).