2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

C16H23N3O2 — CID 120729998

IUPAC2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H23N3O2/c20-16(10-13-3-8-21-9-4-13)19-7-6-18-12-15(19)14-2-1-5-17-11-14/h1-2,5,11,13,15,18H,3-4,6-10,12H2
InChIKeyQLMZMOZEVIAFLZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.37
Rot. Bonds3

About 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120729998) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
PubChem CID120729998
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H23N3O2/c20-16(10-13-3-8-21-9-4-13)19-7-6-18-12-15(19)14-2-1-5-17-11-14/h1-2,5,11,13,15,18H,3-4,6-10,12H2
InChIKeyQLMZMOZEVIAFLZ-UHFFFAOYSA-N
XLogP1.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-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

2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732408
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 120732611
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
CID 120730942
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (CID 120729998) is 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is O=C(CC1CCOCC1)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is QLMZMOZEVIAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(10-13-3-8-21-9-4-13)19-7-6-18-12-15(19)14-2-1-5-17-11-14/h1-2,5,11,13,15,18H,3-4,6-10,12H2.
What are the key properties of 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 289.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120729998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).