1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one

C13H15NO3 — CID 107676237

IUPAC1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
SMILESCc1cc(C(=O)N2CCCC(=O)C2)ccc1O
InChIInChI=1S/C13H15NO3/c1-9-7-10(4-5-12(9)16)13(17)14-6-2-3-11(15)8-14/h4-5,7,16H,2-3,6,8H2,1H3
InChIKeyALORZJGPHGJZCR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds1

About 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one

1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one (PubChem CID 107676237) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
PubChem CID107676237
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
SMILESCc1cc(C(=O)N2CCCC(=O)C2)ccc1O
InChIInChI=1S/C13H15NO3/c1-9-7-10(4-5-12(9)16)13(17)14-6-2-3-11(15)8-14/h4-5,7,16H,2-3,6,8H2,1H3
InChIKeyALORZJGPHGJZCR-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
2-[4-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 107674849
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one?
The IUPAC name of 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one (CID 107676237) is 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one?
The canonical SMILES for 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one is Cc1cc(C(=O)N2CCCC(=O)C2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one?
The InChIKey is ALORZJGPHGJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-7-10(4-5-12(9)16)13(17)14-6-2-3-11(15)8-14/h4-5,7,16H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one?
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one has a molecular weight of 233.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one is sourced from PubChem (CID 107676237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).