3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one

C22H24N2O4 — CID 46081475

IUPAC3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-14-12-15(2)20-19(13-14)24(22(26)28-20)17-8-10-23(11-9-17)21(25)16-4-6-18(27-3)7-5-16/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyVZYSRHLGPDMGGT-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.70
Rot. Bonds3

About 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one

3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one (PubChem CID 46081475) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
PubChem CID46081475
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-14-12-15(2)20-19(13-14)24(22(26)28-20)17-8-10-23(11-9-17)21(25)16-4-6-18(27-3)7-5-16/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyVZYSRHLGPDMGGT-UHFFFAOYSA-N
XLogP3.70
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911520
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one (CID 46081475) is 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one is COc1ccc(C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)cc1.
What is the InChIKey of 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one?
The InChIKey is VZYSRHLGPDMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-12-15(2)20-19(13-14)24(22(26)28-20)17-8-10-23(11-9-17)21(25)16-4-6-18(27-3)7-5-16/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one?
3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 46081475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).