1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone

C17H19N3O — CID 22366239

IUPAC1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CNCCN1c1ccccc1
InChIInChI=1S/C17H19N3O/c21-17(12-14-6-4-5-9-19-14)16-13-18-10-11-20(16)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2
InChIKeyFSMLHGCHVANTMN-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.67
Rot. Bonds4

About 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone

1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone (PubChem CID 22366239) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone
PubChem CID22366239
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CNCCN1c1ccccc1
InChIInChI=1S/C17H19N3O/c21-17(12-14-6-4-5-9-19-14)16-13-18-10-11-20(16)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2
InChIKeyFSMLHGCHVANTMN-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone (CID 22366239) is 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)C1CNCCN1c1ccccc1.
What is the InChIKey of 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone?
The InChIKey is FSMLHGCHVANTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(12-14-6-4-5-9-19-14)16-13-18-10-11-20(16)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2.
What are the key properties of 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone?
1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperazin-2-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 22366239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).