methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate

C15H19NO4 — CID 78919388

IUPACmethyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H19NO4/c1-10-5-3-7-12(13(10)17)14(18)16-8-4-6-11(9-16)15(19)20-2/h3,5,7,11,17H,4,6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyLGYKKMPRWUKDLN-NSHDSACASA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds2

About methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate

methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate (PubChem CID 78919388) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
PubChem CID78919388
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H19NO4/c1-10-5-3-7-12(13(10)17)14(18)16-8-4-6-11(9-16)15(19)20-2/h3,5,7,11,17H,4,6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyLGYKKMPRWUKDLN-NSHDSACASA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate 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

methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate (CID 78919388) is methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2cccc(C)c2O)C1.
What is the InChIKey of methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate?
The InChIKey is LGYKKMPRWUKDLN-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-3-7-12(13(10)17)14(18)16-8-4-6-11(9-16)15(19)20-2/h3,5,7,11,17H,4,6,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).