(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

C21H28N4O3S — CID 5307930

IUPAC(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C21H28N4O3S/c1-2-23-13-15-24(16-14-23)21(26)18-8-11-25(12-9-18)29(27,28)19-7-3-5-17-6-4-10-22-20(17)19/h3-7,10,18H,2,8-9,11-16H2,1H3
InChIKeyCRYSUWLWRRSLJM-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.80
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 5307930) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
PubChem CID5307930
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C21H28N4O3S/c1-2-23-13-15-24(16-14-23)21(26)18-8-11-25(12-9-18)29(27,28)19-7-3-5-17-6-4-10-22-20(17)19/h3-7,10,18H,2,8-9,11-16H2,1H3
InChIKeyCRYSUWLWRRSLJM-UHFFFAOYSA-N
XLogP1.80
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mitapivat
CID 59634741
Cyclohexyl{4-[(Isoquinolin-5-Yl)sulfonyl]piperazin-1-Yl}methanone
CID 71589139
2-Cyclohexyl-1-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]ethanone
CID 138753214
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
8-(4-Methylpiperazin-1-yl)sulfonylquinoline
CID 671587
N-[4-(piperidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 987219
4-Phenyl-1-(8-quinolylsulfonyl)piperazine
CID 1356333
N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309973
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-4-carboxamide
CID 31031050
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)quinoline-8-sulfonamide
CID 46232654

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (CID 5307930) is (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is CRYSUWLWRRSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-2-23-13-15-24(16-14-23)21(26)18-8-11-25(12-9-18)29(27,28)19-7-3-5-17-6-4-10-22-20(17)19/h3-7,10,18H,2,8-9,11-16H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 416.55 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 5307930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).