4-(oxolan-3-yl)-1-phenylpiperazin-2-one

C14H18N2O2 — CID 131900443

IUPAC4-(oxolan-3-yl)-1-phenylpiperazin-2-one
SMILESO=C1CN(C2CCOC2)CCN1c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyNHZDXYNUSZRAGS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.12
Rot. Bonds2

About 4-(oxolan-3-yl)-1-phenylpiperazin-2-one

4-(oxolan-3-yl)-1-phenylpiperazin-2-one (PubChem CID 131900443) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1-phenylpiperazin-2-one
PubChem CID131900443
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(oxolan-3-yl)-1-phenylpiperazin-2-one
SMILESO=C1CN(C2CCOC2)CCN1c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyNHZDXYNUSZRAGS-UHFFFAOYSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(oxolan-3-yl)-1-phenylpiperazin-2-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

1-phenyl-4-(thiolan-3-yl)piperazin-2-one
CID 131942443
4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
CID 138808202
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
1-butyl-4-[(3S)-oxolan-3-yl]piperazin-2-one
CID 164632944
5-(3-oxo-4-phenylpiperazin-1-yl)-1-(2-phenoxyethyl)azepan-2-one
CID 126463940
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one
CID 150208087
1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
CID 97242174
7-phenyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
CID 80519552
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260613
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120622
(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1-phenylpiperazin-2-one?
The IUPAC name of 4-(oxolan-3-yl)-1-phenylpiperazin-2-one (CID 131900443) is 4-(oxolan-3-yl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(oxolan-3-yl)-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(oxolan-3-yl)-1-phenylpiperazin-2-one is O=C1CN(C2CCOC2)CCN1c1ccccc1.
What is the InChIKey of 4-(oxolan-3-yl)-1-phenylpiperazin-2-one?
The InChIKey is NHZDXYNUSZRAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 4-(oxolan-3-yl)-1-phenylpiperazin-2-one?
4-(oxolan-3-yl)-1-phenylpiperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 131900443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).