5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one

C13H17N3O2 — CID 79707132

IUPAC5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCC3CCNCC3)ccc2o1
InChIInChI=1S/C13H17N3O2/c17-13-16-11-7-10(1-2-12(11)18-13)15-8-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6,8H2,(H,16,17)
InChIKeyOSLIYFMCUQWSNQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.53
Rot. Bonds3

About 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one

5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 79707132) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID79707132
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCC3CCNCC3)ccc2o1
InChIInChI=1S/C13H17N3O2/c17-13-16-11-7-10(1-2-12(11)18-13)15-8-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6,8H2,(H,16,17)
InChIKeyOSLIYFMCUQWSNQ-UHFFFAOYSA-N
XLogP1.53
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-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

5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115120328
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 79707132) is 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCC3CCNCC3)ccc2o1.
What is the InChIKey of 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is OSLIYFMCUQWSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13-16-11-7-10(1-2-12(11)18-13)15-8-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6,8H2,(H,16,17).
What are the key properties of 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 79707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).