4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid

C16H22N2O3 — CID 63135020

IUPAC4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(C)c2)CCCNC1
InChIInChI=1S/C16H22N2O3/c1-3-16(7-4-8-17-10-16)15(21)18-12-5-6-13(14(19)20)11(2)9-12/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPNIYSRHPQVDSNQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid

4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 63135020) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
PubChem CID63135020
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(C)c2)CCCNC1
InChIInChI=1S/C16H22N2O3/c1-3-16(7-4-8-17-10-16)15(21)18-12-5-6-13(14(19)20)11(2)9-12/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPNIYSRHPQVDSNQ-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

3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63132622
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid (CID 63135020) is 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid is CCC1(C(=O)Nc2ccc(C(=O)O)c(C)c2)CCCNC1.
What is the InChIKey of 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is PNIYSRHPQVDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(7-4-8-17-10-16)15(21)18-12-5-6-13(14(19)20)11(2)9-12/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid?
4-[(3-ethylpiperidine-3-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 4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63135020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).