(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid

C17H18N2O3 — CID 92756294

IUPAC(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-11-10-13(12-6-2-3-7-14(12)18-11)16(20)19-9-5-4-8-15(19)17(21)22/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyKUFGNCXKCVPWCQ-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.62
Rot. Bonds2

About (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 92756294) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID92756294
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H18N2O3/c1-11-10-13(12-6-2-3-7-14(12)18-11)16(20)19-9-5-4-8-15(19)17(21)22/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyKUFGNCXKCVPWCQ-HNNXBMFYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
1-(2-methylquinoline-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119136919
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
1-(isoquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120515002
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355915

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid (CID 92756294) is (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c2ccccc2n1.
What is the InChIKey of (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is KUFGNCXKCVPWCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-10-13(12-6-2-3-7-14(12)18-11)16(20)19-9-5-4-8-15(19)17(21)22/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 92756294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).