6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one

C20H19ClN2O3 — CID 3062967

IUPAC6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2c(c1)oc(=O)n2CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-16-7-3-2-6-15(16)19(24)14-8-9-17-18(12-14)26-20(25)23(17)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyRIPRKADGBIABAL-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.92
Rot. Bonds4

About 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one

6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 3062967) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID3062967
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2c(c1)oc(=O)n2CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-16-7-3-2-6-15(16)19(24)14-8-9-17-18(12-14)26-20(25)23(17)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyRIPRKADGBIABAL-UHFFFAOYSA-N
XLogP3.92
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one (CID 3062967) is 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one is O=C(c1ccc2c(c1)oc(=O)n2CN1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is RIPRKADGBIABAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-16-7-3-2-6-15(16)19(24)14-8-9-17-18(12-14)26-20(25)23(17)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 3062967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).