N-(4-Methylbenzoyl)-4-benzylpiperidine

C20H23NO — CID 1415427

IUPAC(4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3
InChIInChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyDVOLWKZEIDCCES-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.40
Rot. Bonds3

About N-(4-Methylbenzoyl)-4-benzylpiperidine

N-(4-Methylbenzoyl)-4-benzylpiperidine (PubChem CID 1415427) has the molecular formula C20H23NO and a molecular weight of 293.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound NameN-(4-Methylbenzoyl)-4-benzylpiperidine
PubChem CID1415427
Molecular FormulaC20H23NO
Molecular Weight293.40 g/mol
Exact Mass293.18
IUPAC Name(4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3
InChIInChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyDVOLWKZEIDCCES-UHFFFAOYSA-N
XLogP4.40
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity345

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-Methylbenzoyl)-4-benzylpiperidine?
The IUPAC name of N-(4-Methylbenzoyl)-4-benzylpiperidine (CID 1415427) is (4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for N-(4-Methylbenzoyl)-4-benzylpiperidine?
The canonical SMILES for N-(4-Methylbenzoyl)-4-benzylpiperidine is CC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3.
What is the InChIKey of N-(4-Methylbenzoyl)-4-benzylpiperidine?
The InChIKey is DVOLWKZEIDCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3.
What are the key properties of N-(4-Methylbenzoyl)-4-benzylpiperidine?
N-(4-Methylbenzoyl)-4-benzylpiperidine has a molecular weight of 293.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-Methylbenzoyl)-4-benzylpiperidine is sourced from PubChem (CID 1415427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).