1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide

C17H23ClN2O2 — CID 141232304

IUPAC1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCCl)c2ccccc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-14(21)19-12-8-15(9-13-19)17(22)20(11-5-10-18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyUONOLBICOMQFOA-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.91
Rot. Bonds5

About 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide

1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 141232304) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
PubChem CID141232304
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCCl)c2ccccc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-14(21)19-12-8-15(9-13-19)17(22)20(11-5-10-18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyUONOLBICOMQFOA-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 18538481
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 18539084
1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539187
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
CID 3013679
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
CID 57331274
1-butanoyl-N-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 86849831
1-acetyl-N-[3-[3-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylpiperidine-4-carboxamide
CID 91551597
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
N-(3-chloropropyl)-N-(3,4-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 11487166
1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide
CID 142875608
1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 113006703
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
CID 139898814

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide (CID 141232304) is 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCCl)c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is UONOLBICOMQFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-14(21)19-12-8-15(9-13-19)17(22)20(11-5-10-18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide?
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 141232304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).