5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid

C16H22N2O3 — CID 63654758

IUPAC5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CC(C)CC(C)C2)cc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-6-11(2)9-18(8-10)16(21)17-13-5-4-12(3)14(7-13)15(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOCEBDBXXHCQGTF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.20
Rot. Bonds2

About 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid

5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 63654758) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
PubChem CID63654758
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CC(C)CC(C)C2)cc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-6-11(2)9-18(8-10)16(21)17-13-5-4-12(3)14(7-13)15(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOCEBDBXXHCQGTF-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
2-chloro-5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670753
1-[(4-methoxycarbonyl-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102328
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
1-[[4-(dimethylcarbamoyl)-3-methylphenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102456

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (CID 63654758) is 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)N2CC(C)CC(C)C2)cc1C(=O)O.
What is the InChIKey of 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is OCEBDBXXHCQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-6-11(2)9-18(8-10)16(21)17-13-5-4-12(3)14(7-13)15(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63654758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).