3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one

C14H18N2O2 — CID 61345343

IUPAC3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCC1CCNCC1
InChIInChI=1S/C14H18N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-4,11,15H,5-10H2
InChIKeyIZMOUHJNBJHWOV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds3

About 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one

3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 61345343) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
PubChem CID61345343
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCC1CCNCC1
InChIInChI=1S/C14H18N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-4,11,15H,5-10H2
InChIKeyIZMOUHJNBJHWOV-UHFFFAOYSA-N
XLogP1.98
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 116925717
3-[2-(3-oxopiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 34182716
3-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-1,3-benzoxazol-2-one
CID 102682271
3-[4-[4-(cyclopropylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 59629994
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
CID 82105315
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
3-[2-(3-methylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 65448101
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 115969276
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one (CID 61345343) is 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCC1CCNCC1.
What is the InChIKey of 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is IZMOUHJNBJHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-16(10-7-11-5-8-15-9-6-11)12-3-1-2-4-13(12)18-14/h1-4,11,15H,5-10H2.
What are the key properties of 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 61345343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).