5-piperidin-1-yl-3H-1,3-benzoxazol-2-one

C12H14N2O2 — CID 23074043

IUPAC5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(N3CCCCC3)ccc2o1
InChIInChI=1S/C12H14N2O2/c15-12-13-10-8-9(4-5-11(10)16-12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15)
InChIKeyQJZBYEGUBIXKIG-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.11
Rot. Bonds1

About 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one

5-piperidin-1-yl-3H-1,3-benzoxazol-2-one (PubChem CID 23074043) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
PubChem CID23074043
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(N3CCCCC3)ccc2o1
InChIInChI=1S/C12H14N2O2/c15-12-13-10-8-9(4-5-11(10)16-12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15)
InChIKeyQJZBYEGUBIXKIG-UHFFFAOYSA-N
XLogP2.11
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662219
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361301
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one
CID 116860145
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
CID 168703375
5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662236
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
6-pyrrolidin-1-ylchromen-2-one
CID 168512411
5-[3-(trifluoromethyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116875894
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
CID 82379948

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one (CID 23074043) is 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(N3CCCCC3)ccc2o1.
What is the InChIKey of 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is QJZBYEGUBIXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12-13-10-8-9(4-5-11(10)16-12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,15).
What are the key properties of 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one?
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 23074043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).