(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid

C20H22N2O4 — CID 120514204

IUPAC(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1
InChIInChI=1S/C20H22N2O4/c1-26-14-6-7-17-15(9-14)16(10-18(21-17)12-4-5-12)19(23)22-8-2-3-13(11-22)20(24)25/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyYZUZJNFHVCJCIA-ZDUSSCGKSA-N
MW354.41 g/mol
LogP3.06
Rot. Bonds4

About (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 120514204) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID120514204
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1
InChIInChI=1S/C20H22N2O4/c1-26-14-6-7-17-15(9-14)16(10-18(21-17)12-4-5-12)19(23)22-8-2-3-13(11-22)20(24)25/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyYZUZJNFHVCJCIA-ZDUSSCGKSA-N
XLogP3.06
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
(3aS,7aS)-2-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627206
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid (CID 120514204) is (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid is COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1.
What is the InChIKey of (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is YZUZJNFHVCJCIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-14-6-7-17-15(9-14)16(10-18(21-17)12-4-5-12)19(23)22-8-2-3-13(11-22)20(24)25/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120514204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).