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

C20H20N2O3 — CID 3062964

IUPAC6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)16-9-10-17-18(13-16)25-20(24)22(17)14-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyPOOSUWLKRAWFKU-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.27
Rot. Bonds4

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

6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 3062964) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID3062964
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)16-9-10-17-18(13-16)25-20(24)22(17)14-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyPOOSUWLKRAWFKU-UHFFFAOYSA-N
XLogP3.27
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 5249143
3-(morpholin-4-ylmethyl)-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one
CID 24744902
2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 11723196
6-(2-chlorobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 10323416
3-[2-(azepan-1-yl)ethyl]-6-benzoyl-1,3-benzothiazol-2-one
CID 25196534
6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
CID 25111658
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(2,6-difluorobenzoyl)-1,3-benzoxazol-2-one
CID 10074949
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one
CID 24744903
3-(1,4-thiazepan-4-ylmethyl)-1,3-benzoxazol-2-one
CID 56813268
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9206469
6-(4-chlorobenzoyl)-3-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-one
CID 10833556
3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorobenzoyl)-1,3-benzoxazol-2-one
CID 10389998

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one (CID 3062964) is 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one is O=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCCCC1.
What is the InChIKey of 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is POOSUWLKRAWFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)16-9-10-17-18(13-16)25-20(24)22(17)14-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2.
What are the key properties of 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one?
6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 336.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 3062964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).