6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid

C18H20N2O3 — CID 122083564

IUPAC6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)c2ccccc2n1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-10-13(18(22)23)8-7-12(20)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyRDCABUZSDUDKGH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds2

About 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122083564) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122083564
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)c2ccccc2n1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-10-13(18(22)23)8-7-12(20)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyRDCABUZSDUDKGH-UHFFFAOYSA-N
XLogP2.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid (CID 122083564) is 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)CCC2C)c2ccccc2n1.
What is the InChIKey of 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RDCABUZSDUDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-10-13(18(22)23)8-7-12(20)2/h3-6,9,12-13H,7-8,10H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122083564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).