1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone

C20H24N2O — CID 45214467

IUPAC1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCCC(Nc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O/c1-16(23)18-8-5-7-17(13-18)14-22-12-6-11-20(15-22)21-19-9-3-2-4-10-19/h2-5,7-10,13,20-21H,6,11-12,14-15H2,1H3
InChIKeyKKBYWNQBUZQRQI-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.97
Rot. Bonds5

About 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone

1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone (PubChem CID 45214467) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
PubChem CID45214467
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCCC(Nc3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O/c1-16(23)18-8-5-7-17(13-18)14-22-12-6-11-20(15-22)21-19-9-3-2-4-10-19/h2-5,7-10,13,20-21H,6,11-12,14-15H2,1H3
InChIKeyKKBYWNQBUZQRQI-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone 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

1-[3-[[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenyl]ethanone
CID 25381608
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-[[(3S)-3-(phenylsulfamoyl)piperidin-1-yl]methyl]benzoic acid
CID 164638668
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone (CID 45214467) is 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone is CC(=O)c1cccc(CN2CCCC(Nc3ccccc3)C2)c1.
What is the InChIKey of 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone?
The InChIKey is KKBYWNQBUZQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(23)18-8-5-7-17(13-18)14-22-12-6-11-20(15-22)21-19-9-3-2-4-10-19/h2-5,7-10,13,20-21H,6,11-12,14-15H2,1H3.
What are the key properties of 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone?
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 45214467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).