2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

C21H28N4O — CID 133467687

IUPAC2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc2nccc(N3CCN(CC(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H28N4O/c1-17-5-6-19-18(15-17)20(7-8-22-19)24-13-11-23(12-14-24)16-21(26)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyIASXSNDFJFYZER-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.68
Rot. Bonds3

About 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 133467687) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID133467687
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc2nccc(N3CCN(CC(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H28N4O/c1-17-5-6-19-18(15-17)20(7-8-22-19)24-13-11-23(12-14-24)16-21(26)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyIASXSNDFJFYZER-UHFFFAOYSA-N
XLogP2.68
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-6-methylquinoline
CID 133466822
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
6-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133467548
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 133468132
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 133467687) is 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone is Cc1ccc2nccc(N3CCN(CC(=O)N4CCCCC4)CC3)c2c1.
What is the InChIKey of 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is IASXSNDFJFYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-5-6-19-18(15-17)20(7-8-22-19)24-13-11-23(12-14-24)16-21(26)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3.
What are the key properties of 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 352.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 133467687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).