(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone

C19H22N2O — CID 10803751

IUPAC(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-14-21(19(22)18-10-6-3-7-11-18)13-12-20(16)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyJWYWWVIQLFMTCW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.03
Rot. Bonds3

About (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone

(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone (PubChem CID 10803751) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
PubChem CID10803751
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-14-21(19(22)18-10-6-3-7-11-18)13-12-20(16)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyJWYWWVIQLFMTCW-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone 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-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
5-(4-benzyl-3-methylpiperazine-1-carbonyl)-3-methyl-1H-imidazol-2-one
CID 138036096
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
1-(4-benzyl-3-methylpiperazin-1-yl)octadecan-1-one
CID 68996989
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
3-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072537

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone (CID 10803751) is (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone?
The InChIKey is JWYWWVIQLFMTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16-14-21(19(22)18-10-6-3-7-11-18)13-12-20(16)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3.
What are the key properties of (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone?
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone has a molecular weight of 294.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 10803751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).