1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C12H17N3O — CID 18714915

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3
InChIKeyNQBGQNHTNDBNME-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds2

About 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 18714915) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID18714915
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3
InChIKeyNQBGQNHTNDBNME-UHFFFAOYSA-N
XLogP1.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one 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

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
(2E)-2-benzylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110298772
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 18714915) is 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NQBGQNHTNDBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 219.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 18714915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).