[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone

C19H20N2O2 — CID 793254

IUPAC[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H20N2O2/c1-15-6-5-9-17(14-15)19(23)21-12-10-20(11-13-21)18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3
InChIKeyAWQJMIFBPDDXBA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.59
Rot. Bonds2

About [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 793254) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID793254
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H20N2O2/c1-15-6-5-9-17(14-15)19(23)21-12-10-20(11-13-21)18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3
InChIKeyAWQJMIFBPDDXBA-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(3-methylbenzoyl)piperazin-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-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 113079200
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone (CID 793254) is [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is AWQJMIFBPDDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15-6-5-9-17(14-15)19(23)21-12-10-20(11-13-21)18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 793254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).