N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide

C19H21ClN2O — CID 17152448

IUPACN-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyIUCFZOLKHLUSCM-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.87
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide (PubChem CID 17152448) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
PubChem CID17152448
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyIUCFZOLKHLUSCM-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078
N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 59447712
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide (CID 17152448) is N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide?
The InChIKey is IUCFZOLKHLUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).