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

C19H21ClN2O — CID 40921957

IUPAC1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyGNOLHPXYPDZETK-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.19
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 40921957) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID40921957
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyGNOLHPXYPDZETK-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (CID 40921957) is 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GNOLHPXYPDZETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 40921957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).