1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one

C15H19NO3 — CID 115269266

IUPAC1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
SMILESCOc1ccc(C(=O)N2CCCC(=O)C2(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-15(2)13(17)5-4-10-16(15)14(18)11-6-8-12(19-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyDXEMPSMDLSRGBN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one

1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one (PubChem CID 115269266) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
PubChem CID115269266
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
SMILESCOc1ccc(C(=O)N2CCCC(=O)C2(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-15(2)13(17)5-4-10-16(15)14(18)11-6-8-12(19-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyDXEMPSMDLSRGBN-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
1-benzoyl-2,2-dimethylpyrrolidin-3-one
CID 66936289
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
1-(3-fluoro-4-methoxybenzoyl)-2,2-dimethylpyrrolidin-3-one
CID 115275113
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone
CID 156519247
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-[(4aR,8aS)-5-(4-methoxybenzoyl)-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110138263
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one?
The IUPAC name of 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one (CID 115269266) is 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one?
The canonical SMILES for 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one is COc1ccc(C(=O)N2CCCC(=O)C2(C)C)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one?
The InChIKey is DXEMPSMDLSRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)13(17)5-4-10-16(15)14(18)11-6-8-12(19-3)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one?
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one has a molecular weight of 261.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one is sourced from PubChem (CID 115269266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).