3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one

C26H30N2O4 — CID 55707536

IUPAC3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(C)n3c(=O)oc4ccccc43)CC2)cc1
InChIInChI=1S/C26H30N2O4/c1-17(2)16-19-8-10-20(11-9-19)24(29)21-12-14-27(15-13-21)25(30)18(3)28-22-6-4-5-7-23(22)32-26(28)31/h4-11,17-18,21H,12-16H2,1-3H3
InChIKeyBBGXEJWBZFKUOV-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.48
Rot. Bonds6

About 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one

3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one (PubChem CID 55707536) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
PubChem CID55707536
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(C)n3c(=O)oc4ccccc43)CC2)cc1
InChIInChI=1S/C26H30N2O4/c1-17(2)16-19-8-10-20(11-9-19)24(29)21-12-14-27(15-13-21)25(30)18(3)28-22-6-4-5-7-23(22)32-26(28)31/h4-11,17-18,21H,12-16H2,1-3H3
InChIKeyBBGXEJWBZFKUOV-UHFFFAOYSA-N
XLogP4.48
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
CID 55932031
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-phenylethanone
CID 56504652
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 134036548
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18142226
3-[1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 24681030

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one (CID 55707536) is 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one is CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(C)n3c(=O)oc4ccccc43)CC2)cc1.
What is the InChIKey of 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The InChIKey is BBGXEJWBZFKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17(2)16-19-8-10-20(11-9-19)24(29)21-12-14-27(15-13-21)25(30)18(3)28-22-6-4-5-7-23(22)32-26(28)31/h4-11,17-18,21H,12-16H2,1-3H3.
What are the key properties of 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one has a molecular weight of 434.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 55707536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).