2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid

C15H20N2O3 — CID 103428976

IUPAC2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)N2CCCC(N)C2)c1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9-5-6-10(2)13(15(19)20)12(9)14(18)17-7-3-4-11(16)8-17/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,19,20)
InChIKeyQYTLBQKYHRYLKW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds2

About 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid

2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid (PubChem CID 103428976) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
PubChem CID103428976
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)N2CCCC(N)C2)c1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9-5-6-10(2)13(15(19)20)12(9)14(18)17-7-3-4-11(16)8-17/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,19,20)
InChIKeyQYTLBQKYHRYLKW-UHFFFAOYSA-N
XLogP1.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119379154
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
2-(3-hydroxyazetidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 107214325
2-(3,4-dimethylpyrrolidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103429160

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid?
The IUPAC name of 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid (CID 103428976) is 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid is Cc1ccc(C)c(C(=O)N2CCCC(N)C2)c1C(=O)O.
What is the InChIKey of 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid?
The InChIKey is QYTLBQKYHRYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-5-6-10(2)13(15(19)20)12(9)14(18)17-7-3-4-11(16)8-17/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid?
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103428976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).