3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

C15H18N2O3 — CID 2997887

IUPAC3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-11-6-4-5-9-16(11)14(18)10-17-12-7-2-3-8-13(12)20-15(17)19/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyQOIUNKJVWYJXAD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds2

About 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 2997887) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID2997887
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-11-6-4-5-9-16(11)14(18)10-17-12-7-2-3-8-13(12)20-15(17)19/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyQOIUNKJVWYJXAD-UHFFFAOYSA-N
XLogP2.00
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pardoprunox
CID 6918525
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
2-(5-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-methyl-N-phenylacetamide
CID 23153762
3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-1,3-benzoxazole-2-thione
CID 24806893
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
N-(4-chlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 890994
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (CID 2997887) is 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is CC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is QOIUNKJVWYJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-6-4-5-9-16(11)14(18)10-17-12-7-2-3-8-13(12)20-15(17)19/h2-3,7-8,11H,4-6,9-10H2,1H3.
What are the key properties of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).