1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide

C21H23ClN2O2 — CID 34081968

IUPAC1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-9-5-4-6-16(19)10-11-20(25)24-14-12-17(13-15-24)21(26)23-18-7-2-1-3-8-18/h1-9,17H,10-15H2,(H,23,26)
InChIKeyZSCNTZNKLKVXGF-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.15
Rot. Bonds5

About 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide

1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 34081968) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID34081968
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-9-5-4-6-16(19)10-11-20(25)24-14-12-17(13-15-24)21(26)23-18-7-2-1-3-8-18/h1-9,17H,10-15H2,(H,23,26)
InChIKeyZSCNTZNKLKVXGF-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 36747424
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide (CID 34081968) is 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZSCNTZNKLKVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-9-5-4-6-16(19)10-11-20(25)24-14-12-17(13-15-24)21(26)23-18-7-2-1-3-8-18/h1-9,17H,10-15H2,(H,23,26).
What are the key properties of 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide?
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 34081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).