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

C21H26N2O — CID 25249987

IUPACN-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)16-23-13-11-20(12-14-23)21(24)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyPSAWNQYKXMWCRQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.52
Rot. Bonds5

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

N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 25249987) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID25249987
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)16-23-13-11-20(12-14-23)21(24)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyPSAWNQYKXMWCRQ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.52
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-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 25249987) is N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PSAWNQYKXMWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)16-23-13-11-20(12-14-23)21(24)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24).
What are the key properties of N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.52, 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-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25249987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).