3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one

C13H19NO2 — CID 121184274

IUPAC3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one
SMILESO=C1OCCCC1N1CCC(=C2CC2)CC1
InChIInChI=1S/C13H19NO2/c15-13-12(2-1-9-16-13)14-7-5-11(6-8-14)10-3-4-10/h12H,1-9H2
InChIKeyFITRHRGFYDQGJO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds1

About 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one

3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one (PubChem CID 121184274) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one.

Molecular Properties

Compound Name3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one
PubChem CID121184274
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one
SMILESO=C1OCCCC1N1CCC(=C2CC2)CC1
InChIInChI=1S/C13H19NO2/c15-13-12(2-1-9-16-13)14-7-5-11(6-8-14)10-3-4-10/h12H,1-9H2
InChIKeyFITRHRGFYDQGJO-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-cyclopropylidenepiperidin-1-yl)oxan-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

(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one
CID 90153359
3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
CID 114508850
3-[(3S)-3-methylpiperidin-1-yl]oxolan-2-one
CID 130643681
3-[4-(1-aminoethyl)piperidin-1-yl]oxolan-2-one
CID 63597112
3-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)oxolan-2-one
CID 130684865
3-(3-aminoazetidin-1-yl)oxolan-2-one
CID 65250013
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
CID 42941023
3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one
CID 115307263
N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide
CID 158905112
(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]oxolan-2-one
CID 27454278
6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137274295
(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one
CID 95284786

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one?
The IUPAC name of 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one (CID 121184274) is 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one.
What is the SMILES notation for 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one?
The canonical SMILES for 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one is O=C1OCCCC1N1CCC(=C2CC2)CC1.
What is the InChIKey of 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one?
The InChIKey is FITRHRGFYDQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13-12(2-1-9-16-13)14-7-5-11(6-8-14)10-3-4-10/h12H,1-9H2.
What are the key properties of 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one?
3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylidenepiperidin-1-yl)oxan-2-one is sourced from PubChem (CID 121184274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).