(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone

C18H20N2O — CID 142430235

IUPAC(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18(16-8-10-19-11-9-16)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyHFQMNUFWOZYARV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds4

About (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone

(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone (PubChem CID 142430235) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
PubChem CID142430235
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18(16-8-10-19-11-9-16)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyHFQMNUFWOZYARV-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone?
The IUPAC name of (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone (CID 142430235) is (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone is O=C(c1ccncc1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone?
The InChIKey is HFQMNUFWOZYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(16-8-10-19-11-9-16)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2.
What are the key properties of (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone?
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 142430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).