3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C18H24N2O3 — CID 110710659

IUPAC3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(2)14-3-5-15(6-4-14)17(21)19-9-7-16(8-10-19)20-11-12-23-18(20)22/h3-6,13,16H,7-12H2,1-2H3
InChIKeyGKXMILYWPQFCTE-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds3

About 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710659) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710659
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(2)14-3-5-15(6-4-14)17(21)19-9-7-16(8-10-19)20-11-12-23-18(20)22/h3-6,13,16H,7-12H2,1-2H3
InChIKeyGKXMILYWPQFCTE-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-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

3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710638
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 135177505

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710659) is 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)c1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1.
What is the InChIKey of 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GKXMILYWPQFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)14-3-5-15(6-4-14)17(21)19-9-7-16(8-10-19)20-11-12-23-18(20)22/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).