(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid

C20H22N2O3 — CID 120537401

IUPAC(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C(=O)O)c2c1
InChIInChI=1S/C20H22N2O3/c1-12-5-8-16-14(10-12)15(11-17(21-16)13-6-7-13)19(23)22-9-3-2-4-18(22)20(24)25/h5,8,10-11,13,18H,2-4,6-7,9H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyMDGVIPRNGAXETN-GOSISDBHSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds3

About (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537401) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537401
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C(=O)O)c2c1
InChIInChI=1S/C20H22N2O3/c1-12-5-8-16-14(10-12)15(11-17(21-16)13-6-7-13)19(23)22-9-3-2-4-18(22)20(24)25/h5,8,10-11,13,18H,2-4,6-7,9H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyMDGVIPRNGAXETN-GOSISDBHSA-N
XLogP3.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356858
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
CID 124691673
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
2-[4-(2-cyclopropyl-6-methylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520610
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid (CID 120537401) is (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid is Cc1ccc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C(=O)O)c2c1.
What is the InChIKey of (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MDGVIPRNGAXETN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-5-8-16-14(10-12)15(11-17(21-16)13-6-7-13)19(23)22-9-3-2-4-18(22)20(24)25/h5,8,10-11,13,18H,2-4,6-7,9H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).