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

C16H20N2O3 — CID 24892683

IUPAC3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC1CCCCN1C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12-6-4-5-10-17(12)15(19)9-11-18-13-7-2-3-8-14(13)21-16(18)20/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyFLFDGSXXOVFRRP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.39
Rot. Bonds3

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

3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 24892683) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID24892683
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC1CCCCN1C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12-6-4-5-10-17(12)15(19)9-11-18-13-7-2-3-8-14(13)21-16(18)20/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyFLFDGSXXOVFRRP-UHFFFAOYSA-N
XLogP2.39
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.39
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
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazole-2(3H)-thione
CID 4572191
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Acetyl-2(3H)-benzoxazolone
CID 32752
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (CID 24892683) is 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is CC1CCCCN1C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is FLFDGSXXOVFRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-6-4-5-10-17(12)15(19)9-11-18-13-7-2-3-8-14(13)21-16(18)20/h2-3,7-8,12H,4-6,9-11H2,1H3.
What are the key properties of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 24892683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).