1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide

C21H23ClN2O2 — CID 45204131

IUPAC1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)14-20(25)24-12-10-16(11-13-24)21(23)26/h1-9,16,18H,10-14H2,(H2,23,26)
InChIKeyQSGZFVGMTDCYMX-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide

1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide (PubChem CID 45204131) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
PubChem CID45204131
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)14-20(25)24-12-10-16(11-13-24)21(23)26/h1-9,16,18H,10-14H2,(H2,23,26)
InChIKeyQSGZFVGMTDCYMX-UHFFFAOYSA-N
XLogP3.59
TPSA63.40 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chlorophenyl)-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 45228203
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 25279258
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide (CID 45204131) is 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The InChIKey is QSGZFVGMTDCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)14-20(25)24-12-10-16(11-13-24)21(23)26/h1-9,16,18H,10-14H2,(H2,23,26).
What are the key properties of 1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.59, 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)-3-phenylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 45204131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).