2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid

C15H21N3O3 — CID 62948908

IUPAC2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
SMILESCc1c(NC(=O)NC2CCCN(C)C2)cccc1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10-12(14(19)20)6-3-7-13(10)17-15(21)16-11-5-4-8-18(2)9-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyPRLAVNOFSSDVMW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid

2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 62948908) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
PubChem CID62948908
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
SMILESCc1c(NC(=O)NC2CCCN(C)C2)cccc1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10-12(14(19)20)6-3-7-13(10)17-15(21)16-11-5-4-8-18(2)9-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyPRLAVNOFSSDVMW-UHFFFAOYSA-N
XLogP1.91
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic 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

5-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223094
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
3-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223435
2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223257
3-(cyclohexylcarbamothioylamino)-2-methylbenzoic acid
CID 91687016
5-methyl-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 61465498
4-fluoro-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223434
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
5-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 61465254
1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
CID 95354595
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid (CID 62948908) is 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid is Cc1c(NC(=O)NC2CCCN(C)C2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is PRLAVNOFSSDVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-12(14(19)20)6-3-7-13(10)17-15(21)16-11-5-4-8-18(2)9-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62948908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).