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

C16H20N2O3 — CID 110710655

IUPAC3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)15(19)17-8-6-14(7-9-17)18-10-11-21-16(18)20/h2-5,14H,6-11H2,1H3
InChIKeyYWKDAEALQFFFKD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.05
Rot. Bonds2

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

3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710655) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710655
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)15(19)17-8-6-14(7-9-17)18-10-11-21-16(18)20/h2-5,14H,6-11H2,1H3
InChIKeyYWKDAEALQFFFKD-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-methylbenzoyl)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-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
4-[1-[1-(4-methylbenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797290
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
CID 134796365
CID 134796365
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(7aS)-2-[1-(4-methylbenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 122138661
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 127761312

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710655) is 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is Cc1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1.
What is the InChIKey of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YWKDAEALQFFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)15(19)17-8-6-14(7-9-17)18-10-11-21-16(18)20/h2-5,14H,6-11H2,1H3.
What are the key properties of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).