5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid

C16H22N2O3 — CID 114429036

IUPAC5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCCC1CCNC(C(=O)Nc2ccc(C)c(C(=O)O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-11-6-7-17-14(8-11)15(19)18-12-5-4-10(2)13(9-12)16(20)21/h4-5,9,11,14,17H,3,6-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHTKZRYYPRFHWGB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.41
Rot. Bonds4

About 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid

5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 114429036) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
PubChem CID114429036
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCCC1CCNC(C(=O)Nc2ccc(C)c(C(=O)O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-11-6-7-17-14(8-11)15(19)18-12-5-4-10(2)13(9-12)16(20)21/h4-5,9,11,14,17H,3,6-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHTKZRYYPRFHWGB-UHFFFAOYSA-N
XLogP2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
4-bromo-2-[(4-ethylpiperidine-2-carbonyl)amino]benzoic acid
CID 114428674
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 114428994
N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428897
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
N-[6-(dimethylamino)-3-pyridinyl]-4-ethylpiperidine-2-carboxamide
CID 114428224

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid (CID 114429036) is 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid is CCC1CCNC(C(=O)Nc2ccc(C)c(C(=O)O)c2)C1.
What is the InChIKey of 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is HTKZRYYPRFHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11-6-7-17-14(8-11)15(19)18-12-5-4-10(2)13(9-12)16(20)21/h4-5,9,11,14,17H,3,6-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid?
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 114429036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).