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

C17H22N2O3 — CID 134788627

IUPAC3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)16(20)18-10-7-15(8-11-18)19-9-2-12-22-17(19)21/h3-6,15H,2,7-12H2,1H3
InChIKeyRLTPZGAZNRVCLI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds2

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

3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one (PubChem CID 134788627) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one
PubChem CID134788627
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESCc1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)16(20)18-10-7-15(8-11-18)19-9-2-12-22-17(19)21/h3-6,15H,2,7-12H2,1H3
InChIKeyRLTPZGAZNRVCLI-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one (CID 134788627) is 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one is Cc1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1.
What is the InChIKey of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The InChIKey is RLTPZGAZNRVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)16(20)18-10-7-15(8-11-18)19-9-2-12-22-17(19)21/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazinan-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.44, 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-oxazinan-2-one is sourced from PubChem (CID 134788627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).