(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone

C22H30N4O3S — CID 91952340

IUPAC(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccnc4ccc(C)cc34)CC2)CC1
InChIInChI=1S/C22H30N4O3S/c1-3-30(28,29)26-14-12-25(13-15-26)22(27)18-7-10-24(11-8-18)21-6-9-23-20-5-4-17(2)16-19(20)21/h4-6,9,16,18H,3,7-8,10-15H2,1-2H3
InChIKeyQHUVWFUVOVRFOC-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.25
Rot. Bonds4

About (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone

(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone (PubChem CID 91952340) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
PubChem CID91952340
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccnc4ccc(C)cc34)CC2)CC1
InChIInChI=1S/C22H30N4O3S/c1-3-30(28,29)26-14-12-25(13-15-26)22(27)18-7-10-24(11-8-18)21-6-9-23-20-5-4-17(2)16-19(20)21/h4-6,9,16,18H,3,7-8,10-15H2,1-2H3
InChIKeyQHUVWFUVOVRFOC-UHFFFAOYSA-N
XLogP2.25
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91952338
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839301

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone (CID 91952340) is (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone is CCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccnc4ccc(C)cc34)CC2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone?
The InChIKey is QHUVWFUVOVRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-30(28,29)26-14-12-25(13-15-26)22(27)18-7-10-24(11-8-18)21-6-9-23-20-5-4-17(2)16-19(20)21/h4-6,9,16,18H,3,7-8,10-15H2,1-2H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone?
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone has a molecular weight of 430.57 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 91952340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).