(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone

C17H19N3O — CID 110741099

IUPAC(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccccn2)CCN1c1ccccc1
InChIInChI=1S/C17H19N3O/c1-14-13-19(17(21)16-9-5-6-10-18-16)11-12-20(14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyRCLZZTLMXUYCSD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds2

About (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone

(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone (PubChem CID 110741099) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
PubChem CID110741099
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccccn2)CCN1c1ccccc1
InChIInChI=1S/C17H19N3O/c1-14-13-19(17(21)16-9-5-6-10-18-16)11-12-20(14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyRCLZZTLMXUYCSD-UHFFFAOYSA-N
XLogP2.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-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

(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 89180119
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
1-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-4-pyridin-2-ylbutane-1,4-dione
CID 121449087
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3-methyl-4-phenylpiperazin-1-yl)-(4-nitrophenyl)methanone
CID 156633610
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
2-methyl-4-phenyl-5-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 90541003
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone (CID 110741099) is (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone is CC1CN(C(=O)c2ccccn2)CCN1c1ccccc1.
What is the InChIKey of (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is RCLZZTLMXUYCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14-13-19(17(21)16-9-5-6-10-18-16)11-12-20(14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 110741099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).