1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid

C17H23NO3 — CID 63134169

IUPAC1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H23NO3/c1-4-17(16(20)21)6-5-7-18(11-17)15(19)14-9-12(2)8-13(3)10-14/h8-10H,4-7,11H2,1-3H3,(H,20,21)
InChIKeyOTEDCUZIJVEKRY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.02
Rot. Bonds3

About 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid

1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63134169) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63134169
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H23NO3/c1-4-17(16(20)21)6-5-7-18(11-17)15(19)14-9-12(2)8-13(3)10-14/h8-10H,4-7,11H2,1-3H3,(H,20,21)
InChIKeyOTEDCUZIJVEKRY-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 107670785
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
CID 72939313
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
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
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid (CID 63134169) is 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is OTEDCUZIJVEKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-17(16(20)21)6-5-7-18(11-17)15(19)14-9-12(2)8-13(3)10-14/h8-10H,4-7,11H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid?
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).