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

C15H19NO3 — CID 115269709

IUPAC1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
SMILESCOc1cccc(C(=O)N2CCC(=O)C(C)(C)C2)c1
InChIInChI=1S/C15H19NO3/c1-15(2)10-16(8-7-13(15)17)14(18)11-5-4-6-12(9-11)19-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyHUTVRMYRFGWHIV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.14
Rot. Bonds2

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

1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one (PubChem CID 115269709) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
PubChem CID115269709
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
SMILESCOc1cccc(C(=O)N2CCC(=O)C(C)(C)C2)c1
InChIInChI=1S/C15H19NO3/c1-15(2)10-16(8-7-13(15)17)14(18)11-5-4-6-12(9-11)19-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyHUTVRMYRFGWHIV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone
CID 112536701
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one (CID 115269709) is 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one is COc1cccc(C(=O)N2CCC(=O)C(C)(C)C2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one?
The InChIKey is HUTVRMYRFGWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)10-16(8-7-13(15)17)14(18)11-5-4-6-12(9-11)19-3/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one?
1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one is sourced from PubChem (CID 115269709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).