1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide

C21H25N3O2 — CID 119152117

IUPAC1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C21H25N3O2/c1-12-9-13(2)19-16(10-12)17(11-18(23-19)14-3-4-14)21(26)24-7-5-15(6-8-24)20(22)25/h9-11,14-15H,3-8H2,1-2H3,(H2,22,25)
InChIKeyJIWKCAWFYIXVSY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds3

About 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide

1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide (PubChem CID 119152117) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
PubChem CID119152117
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C21H25N3O2/c1-12-9-13(2)19-16(10-12)17(11-18(23-19)14-3-4-14)21(26)24-7-5-15(6-8-24)20(22)25/h9-11,14-15H,3-8H2,1-2H3,(H2,22,25)
InChIKeyJIWKCAWFYIXVSY-UHFFFAOYSA-N
XLogP3.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877928
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide (CID 119152117) is 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide is Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is JIWKCAWFYIXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-12-9-13(2)19-16(10-12)17(11-18(23-19)14-3-4-14)21(26)24-7-5-15(6-8-24)20(22)25/h9-11,14-15H,3-8H2,1-2H3,(H2,22,25).
What are the key properties of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide?
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119152117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).