piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C13H18N2O2 — CID 3237875

IUPACpiperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h1-9H2
InChIKeyJQNGOCXIBYPCND-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.18
Rot. Bonds1

About piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 3237875) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID3237875
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namepiperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h1-9H2
InChIKeyJQNGOCXIBYPCND-UHFFFAOYSA-N
XLogP2.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone 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 piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 3237875) is piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is O=C(c1noc2c1CCCC2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is JQNGOCXIBYPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h1-9H2.
What are the key properties of piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 3237875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).