N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine

C55H71Cl2N11O2 — CID 129217021

IUPACN-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccccc4Cl)c4cnccc34)CC2)CC1.CN1CCNCC1.Clc1ccc(-n2cc(C3CCN(CC4CCNCC4)CC3)c3ccncc32)cc1
InChIInChI=1S/C26H30ClN5O2.C24H29ClN4.C5H12N2/c1-18(33)30-14-9-20(10-15-30)29-26(34)31-12-7-19(8-13-31)22-17-32(24-5-3-2-4-23(24)27)25-16-28-11-6-21(22)25;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;1-7-4-2-6-3-5-7/h2-6,11,16-17,19-20H,7-10,12-15H2,1H3,(H,29,34);1-4,7,12,15,17-19,26H,5-6,8-11,13-14,16H2;6H,2-5H2,1H3
InChIKeyULXORQCIXMFZIB-UHFFFAOYSA-N
MW989.15 g/mol
LogP8.96
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine

N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine (PubChem CID 129217021) has the molecular formula C55H71Cl2N11O2 and a molecular weight of 989.15 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
PubChem CID129217021
Molecular FormulaC55H71Cl2N11O2
Molecular Weight989.15 g/mol
Exact Mass987.52
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccccc4Cl)c4cnccc34)CC2)CC1.CN1CCNCC1.Clc1ccc(-n2cc(C3CCN(CC4CCNCC4)CC3)c3ccncc32)cc1
InChIInChI=1S/C26H30ClN5O2.C24H29ClN4.C5H12N2/c1-18(33)30-14-9-20(10-15-30)29-26(34)31-12-7-19(8-13-31)22-17-32(24-5-3-2-4-23(24)27)25-16-28-11-6-21(22)25;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;1-7-4-2-6-3-5-7/h2-6,11,16-17,19-20H,7-10,12-15H2,1H3,(H,29,34);1-4,7,12,15,17-19,26H,5-6,8-11,13-14,16H2;6H,2-5H2,1H3
InChIKeyULXORQCIXMFZIB-UHFFFAOYSA-N
XLogP8.96
TPSA118.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.15
LogP ≤ 58.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine (CID 129217021) is N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine is CC(=O)N1CCC(NC(=O)N2CCC(c3cn(-c4ccccc4Cl)c4cnccc34)CC2)CC1.CN1CCNCC1.Clc1ccc(-n2cc(C3CCN(CC4CCNCC4)CC3)c3ccncc32)cc1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine?
The InChIKey is ULXORQCIXMFZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2.C24H29ClN4.C5H12N2/c1-18(33)30-14-9-20(10-15-30)29-26(34)31-12-7-19(8-13-31)22-17-32(24-5-3-2-4-23(24)27)25-16-28-11-6-21(22)25;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;1-7-4-2-6-3-5-7/h2-6,11,16-17,19-20H,7-10,12-15H2,1H3,(H,29,34);1-4,7,12,15,17-19,26H,5-6,8-11,13-14,16H2;6H,2-5H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine?
N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine has a molecular weight of 989.15 g/mol, XLogP of 8.96, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine is sourced from PubChem (CID 129217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).