2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C23H30N4O2 — CID 35614892

IUPAC2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C23H30N4O2/c1-17-6-7-21-19(14-17)20(15-18(2)24-21)23(29)27-12-10-25(11-13-27)16-22(28)26-8-4-3-5-9-26/h6-7,14-15H,3-5,8-13,16H2,1-2H3
InChIKeyIXZBZNRGBRLKCW-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 35614892) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID35614892
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C23H30N4O2/c1-17-6-7-21-19(14-17)20(15-18(2)24-21)23(29)27-12-10-25(11-13-27)16-22(28)26-8-4-3-5-9-26/h6-7,14-15H,3-5,8-13,16H2,1-2H3
InChIKeyIXZBZNRGBRLKCW-UHFFFAOYSA-N
XLogP2.62
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
(2,6-dimethylquinolin-4-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
CID 70781341
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
(2,6-dimethylquinolin-4-yl)-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
CID 70754256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 35614892) is 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is Cc1ccc2nc(C)cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2c1.
What is the InChIKey of 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is IXZBZNRGBRLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-6-7-21-19(14-17)20(15-18(2)24-21)23(29)27-12-10-25(11-13-27)16-22(28)26-8-4-3-5-9-26/h6-7,14-15H,3-5,8-13,16H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 394.52 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 35614892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).