2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

C16H22N2O3 — CID 61203294

IUPAC2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCCC1CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-12-7-5-9-18(10-12)16(21)17-14-11(2)6-4-8-13(14)15(19)20/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWOTGJVCKZMTSHU-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.35
Rot. Bonds3

About 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 61203294) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
PubChem CID61203294
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCCC1CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-12-7-5-9-18(10-12)16(21)17-14-11(2)6-4-8-13(14)15(19)20/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWOTGJVCKZMTSHU-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid 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

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
CID 106315818

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (CID 61203294) is 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is CCC1CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1.
What is the InChIKey of 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is WOTGJVCKZMTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-7-5-9-18(10-12)16(21)17-14-11(2)6-4-8-13(14)15(19)20/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 61203294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).