1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

C29H39ClN4O2 — CID 18538481

IUPAC1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCNC2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C29H39ClN4O2/c1-23(35)33-19-11-25(12-20-33)29(36)34(28-10-5-9-26(30)21-28)16-6-15-31-27-13-17-32(18-14-27)22-24-7-3-2-4-8-24/h2-5,7-10,21,25,27,31H,6,11-20,22H2,1H3
InChIKeySLDAHGGGQYGAPK-UHFFFAOYSA-N
MW511.11 g/mol
LogP4.58
Rot. Bonds9

About 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 18538481) has the molecular formula C29H39ClN4O2 and a molecular weight of 511.11 g/mol. Its IUPAC name is 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID18538481
Molecular FormulaC29H39ClN4O2
Molecular Weight511.11 g/mol
Exact Mass510.28
IUPAC Name1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCNC2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C29H39ClN4O2/c1-23(35)33-19-11-25(12-20-33)29(36)34(28-10-5-9-26(30)21-28)16-6-15-31-27-13-17-32(18-14-27)22-24-7-3-2-4-8-24/h2-5,7-10,21,25,27,31H,6,11-20,22H2,1H3
InChIKeySLDAHGGGQYGAPK-UHFFFAOYSA-N
XLogP4.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.11
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[(4-tert-butylcyclohexyl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 69183207
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 18539084
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
CID 141232304
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 57331340
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
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-chlorophenyl)-N-[3-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]propyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539142
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
1-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylsulfanyl)piperidin-1-yl]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 18538919
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (CID 18538481) is 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCNC2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is SLDAHGGGQYGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClN4O2/c1-23(35)33-19-11-25(12-20-33)29(36)34(28-10-5-9-26(30)21-28)16-6-15-31-27-13-17-32(18-14-27)22-24-7-3-2-4-8-24/h2-5,7-10,21,25,27,31H,6,11-20,22H2,1H3.
What are the key properties of 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 511.11 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 18538481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).