4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one

C13H23NO2 — CID 116564211

IUPAC4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
SMILESO=C(CCC1CCCO1)CC1CCCNC1
InChIInChI=1S/C13H23NO2/c15-12(5-6-13-4-2-8-16-13)9-11-3-1-7-14-10-11/h11,13-14H,1-10H2
InChIKeyUWGHDOIYAVHYMD-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.90
Rot. Bonds5

About 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one

4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one (PubChem CID 116564211) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
PubChem CID116564211
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
SMILESO=C(CCC1CCCO1)CC1CCCNC1
InChIInChI=1S/C13H23NO2/c15-12(5-6-13-4-2-8-16-13)9-11-3-1-7-14-10-11/h11,13-14H,1-10H2
InChIKeyUWGHDOIYAVHYMD-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-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-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
N-(2-amino-2-oxoethyl)-3-(oxolan-2-yl)-N-piperidin-3-ylpropanamide
CID 65156815
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629086
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
2-(oxolan-2-ylmethoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557645
2-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462659
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
CID 103986354
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116592114

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one?
The IUPAC name of 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one (CID 116564211) is 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one is O=C(CCC1CCCO1)CC1CCCNC1.
What is the InChIKey of 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one?
The InChIKey is UWGHDOIYAVHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(5-6-13-4-2-8-16-13)9-11-3-1-7-14-10-11/h11,13-14H,1-10H2.
What are the key properties of 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one?
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one is sourced from PubChem (CID 116564211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).