N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

C20H23ClN2O — CID 25249192

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)
InChIKeyXMHZFVYQHIEQKB-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.87
Rot. Bonds5

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

N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 25249192) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID25249192
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)
InChIKeyXMHZFVYQHIEQKB-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 25249192) is N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XMHZFVYQHIEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24).
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25249192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).