6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

C14H18N2O3 — CID 62299129

IUPAC6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)C3CCNCC3)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-11-3-2-10(8-12(11)19-14(16)18)13(17)9-4-6-15-7-5-9/h2-3,8-9,13,15,17H,4-7H2,1H3
InChIKeyGZBUIACREWTMMM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds2

About 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62299129) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID62299129
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)C3CCNCC3)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-11-3-2-10(8-12(11)19-14(16)18)13(17)9-4-6-15-7-5-9/h2-3,8-9,13,15,17H,4-7H2,1H3
InChIKeyGZBUIACREWTMMM-UHFFFAOYSA-N
XLogP1.16
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-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

6-[(2,2-dimethylcyclopropyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 107002512
6-[bromo(cyclooctyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 65020555
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116941185
3-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-benzoxazol-2-one
CID 62298959
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
2-[amino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938650
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624
1-[hydroxy-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836340

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 62299129) is 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(O)C3CCNCC3)ccc21.
What is the InChIKey of 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is GZBUIACREWTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-11-3-2-10(8-12(11)19-14(16)18)13(17)9-4-6-15-7-5-9/h2-3,8-9,13,15,17H,4-7H2,1H3.
What are the key properties of 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62299129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).