2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C20H26N4O — CID 567081

IUPAC2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCCC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O/c25-20(16-22-10-4-1-5-11-22)24-14-12-23(13-15-24)19-9-8-17-6-2-3-7-18(17)21-19/h2-3,6-9H,1,4-5,10-16H2
InChIKeyCFSBUWPFAHXQHN-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.37
Rot. Bonds3

About 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 567081) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID567081
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCCC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O/c25-20(16-22-10-4-1-5-11-22)24-14-12-23(13-15-24)19-9-8-17-6-2-3-7-18(17)21-19/h2-3,6-9H,1,4-5,10-16H2
InChIKeyCFSBUWPFAHXQHN-UHFFFAOYSA-N
XLogP2.37
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 567081) is 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCCCC1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CFSBUWPFAHXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(16-22-10-4-1-5-11-22)24-14-12-23(13-15-24)19-9-8-17-6-2-3-7-18(17)21-19/h2-3,6-9H,1,4-5,10-16H2.
What are the key properties of 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 567081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).