2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

C19H21N3O2 — CID 110818393

IUPAC2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O2/c1-15-4-2-5-16(12-15)13-18(23)21-8-10-22(11-9-21)19(24)17-6-3-7-20-14-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyDISUUIQNGNKGOL-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110818393) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110818393
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O2/c1-15-4-2-5-16(12-15)13-18(23)21-8-10-22(11-9-21)19(24)17-6-3-7-20-14-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyDISUUIQNGNKGOL-UHFFFAOYSA-N
XLogP1.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]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-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
CID 171912252
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
1-[4-(3-methylbenzoyl)piperazin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110632670
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
2-(2-methyl-1,3-benzoxazol-5-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803012
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 38462830
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803001
3-(4-methylphenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798846

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (CID 110818393) is 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DISUUIQNGNKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-4-2-5-16(12-15)13-18(23)21-8-10-22(11-9-21)19(24)17-6-3-7-20-14-17/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).