3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid

C16H21NO4 — CID 107670785

IUPAC3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C16H21NO4/c1-3-16(15(20)21)7-4-8-17(10-16)14(19)13-6-5-12(18)9-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyXOWCSLUDULCDQJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.42
Rot. Bonds3

About 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid

3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 107670785) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
PubChem CID107670785
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C16H21NO4/c1-3-16(15(20)21)7-4-8-17(10-16)14(19)13-6-5-12(18)9-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyXOWCSLUDULCDQJ-UHFFFAOYSA-N
XLogP2.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
(3R)-1-(2-chloro-6-fluoro-3-methylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 97123772
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
(3S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-3-ethylpiperidine-3-carboxylic acid
CID 97126317
(3R)-3-ethyl-1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 97154063

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid (CID 107670785) is 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2C)C1.
What is the InChIKey of 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is XOWCSLUDULCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-16(15(20)21)7-4-8-17(10-16)14(19)13-6-5-12(18)9-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107670785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).