2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one

C20H20N2O3 — CID 118707401

IUPAC2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one
SMILESO=C(c1ccc(Cn2oc3ccccc3c2=O)cc1)N1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-19(21-12-4-1-5-13-21)16-10-8-15(9-11-16)14-22-20(24)17-6-2-3-7-18(17)25-22/h2-3,6-11H,1,4-5,12-14H2
InChIKeyFWECKPMTOHCYPY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.27
Rot. Bonds3

About 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one

2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one (PubChem CID 118707401) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one
PubChem CID118707401
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one
SMILESO=C(c1ccc(Cn2oc3ccccc3c2=O)cc1)N1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-19(21-12-4-1-5-13-21)16-10-8-15(9-11-16)14-22-20(24)17-6-2-3-7-18(17)25-22/h2-3,6-11H,1,4-5,12-14H2
InChIKeyFWECKPMTOHCYPY-UHFFFAOYSA-N
XLogP3.27
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-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 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one?
The IUPAC name of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one (CID 118707401) is 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one?
The canonical SMILES for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one is O=C(c1ccc(Cn2oc3ccccc3c2=O)cc1)N1CCCCC1.
What is the InChIKey of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one?
The InChIKey is FWECKPMTOHCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(21-12-4-1-5-13-21)16-10-8-15(9-11-16)14-22-20(24)17-6-2-3-7-18(17)25-22/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one?
2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one has a molecular weight of 336.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2-benzoxazol-3-one is sourced from PubChem (CID 118707401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).