5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one

C14H18N2O3 — CID 116860145

IUPAC5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(CO)N3CCCCC3)ccc2o1
InChIInChI=1S/C14H18N2O3/c17-9-12(16-6-2-1-3-7-16)10-4-5-13-11(8-10)15-14(18)19-13/h4-5,8,12,17H,1-3,6-7,9H2,(H,15,18)
InChIKeyGGRKINKXWADMPG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one

5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 116860145) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one
PubChem CID116860145
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(CO)N3CCCCC3)ccc2o1
InChIInChI=1S/C14H18N2O3/c17-9-12(16-6-2-1-3-7-16)10-4-5-13-11(8-10)15-14(18)19-13/h4-5,8,12,17H,1-3,6-7,9H2,(H,15,18)
InChIKeyGGRKINKXWADMPG-UHFFFAOYSA-N
XLogP1.64
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one (CID 116860145) is 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(C(CO)N3CCCCC3)ccc2o1.
What is the InChIKey of 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is GGRKINKXWADMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-9-12(16-6-2-1-3-7-16)10-4-5-13-11(8-10)15-14(18)19-13/h4-5,8,12,17H,1-3,6-7,9H2,(H,15,18).
What are the key properties of 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one?
5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116860145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).