3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one

C17H24N2O2 — CID 71463514

IUPAC3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one
SMILESCCCc1ccc2c(c1)oc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyXELYNIBGFJRAGI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.03
Rot. Bonds5

About 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one

3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one (PubChem CID 71463514) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one
PubChem CID71463514
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one
SMILESCCCc1ccc2c(c1)oc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyXELYNIBGFJRAGI-UHFFFAOYSA-N
XLogP3.03
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one (CID 71463514) is 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one is CCCc1ccc2c(c1)oc(=O)n2CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one?
The InChIKey is XELYNIBGFJRAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one?
3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 71463514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).