5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid

C17H18N2O3 — CID 122117740

IUPAC5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H18N2O3/c1-11-7-14(17(21)22)10-19(9-11)16(20)13-4-5-15-12(8-13)3-2-6-18-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,21,22)
InChIKeyIMSNMMXOWMVFJU-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.42
Rot. Bonds2

About 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122117740) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID122117740
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H18N2O3/c1-11-7-14(17(21)22)10-19(9-11)16(20)13-4-5-15-12(8-13)3-2-6-18-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,21,22)
InChIKeyIMSNMMXOWMVFJU-UHFFFAOYSA-N
XLogP2.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
1-(1-benzothiophene-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118282
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
ethane;quinoline-6-carboxylic acid
CID 91364452
1-(3,4-dipropoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119202
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
CID 122118740

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid (CID 122117740) is 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IMSNMMXOWMVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-14(17(21)22)10-19(9-11)16(20)13-4-5-15-12(8-13)3-2-6-18-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,21,22).
What are the key properties of 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122117740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).