1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide

C27H36ClN5O2 — CID 18539084

IUPAC1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccn3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C27H36ClN5O2/c1-22(34)32-14-9-23(10-15-32)27(35)33(26-8-4-6-24(28)20-26)13-5-12-30-16-18-31(19-17-30)21-25-7-2-3-11-29-25/h2-4,6-8,11,20,23H,5,9-10,12-19,21H2,1H3
InChIKeyZMCNDMXPLSUVAS-UHFFFAOYSA-N
MW498.07 g/mol
LogP3.53
Rot. Bonds8

About 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide

1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 18539084) has the molecular formula C27H36ClN5O2 and a molecular weight of 498.07 g/mol. Its IUPAC name is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID18539084
Molecular FormulaC27H36ClN5O2
Molecular Weight498.07 g/mol
Exact Mass497.26
IUPAC Name1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccn3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C27H36ClN5O2/c1-22(34)32-14-9-23(10-15-32)27(35)33(26-8-4-6-24(28)20-26)13-5-12-30-16-18-31(19-17-30)21-25-7-2-3-11-29-25/h2-4,6-8,11,20,23H,5,9-10,12-19,21H2,1H3
InChIKeyZMCNDMXPLSUVAS-UHFFFAOYSA-N
XLogP3.53
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.07
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539187
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
CID 57331274
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]propyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539142
1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 18538481
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 57331340
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 69313655
1-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylsulfanyl)piperidin-1-yl]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 18538919
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
CID 141232304
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
CID 139898814
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide;dihydrochloride
CID 154701628
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[[(4-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 70695892
N-[3-[(3aR,6aS)-5-(2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 58782534

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide (CID 18539084) is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccn3)CC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is ZMCNDMXPLSUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN5O2/c1-22(34)32-14-9-23(10-15-32)27(35)33(26-8-4-6-24(28)20-26)13-5-12-30-16-18-31(19-17-30)21-25-7-2-3-11-29-25/h2-4,6-8,11,20,23H,5,9-10,12-19,21H2,1H3.
What are the key properties of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide?
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 498.07 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 18539084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).