[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone

C23H32N4O3S — CID 91952338

IUPAC[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc2nccc(N3CCC(C(=O)N4CCN(S(=O)(=O)C(C)C)CC4)CC3)c2c1
InChIInChI=1S/C23H32N4O3S/c1-17(2)31(29,30)27-14-12-26(13-15-27)23(28)19-7-10-25(11-8-19)22-6-9-24-21-5-4-18(3)16-20(21)22/h4-6,9,16-17,19H,7-8,10-15H2,1-3H3
InChIKeyGLYGPGIYFSXQCE-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.64
Rot. Bonds4

About [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone

[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 91952338) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID91952338
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc2nccc(N3CCC(C(=O)N4CCN(S(=O)(=O)C(C)C)CC4)CC3)c2c1
InChIInChI=1S/C23H32N4O3S/c1-17(2)31(29,30)27-14-12-26(13-15-27)23(28)19-7-10-25(11-8-19)22-6-9-24-21-5-4-18(3)16-20(21)22/h4-6,9,16-17,19H,7-8,10-15H2,1-3H3
InChIKeyGLYGPGIYFSXQCE-UHFFFAOYSA-N
XLogP2.64
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
[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-(azepan-1-yl)-6-methylquinoline
CID 133466822
[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
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839301
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 133468132

Frequently Asked Questions

What is the IUPAC name of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone (CID 91952338) is [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc2nccc(N3CCC(C(=O)N4CCN(S(=O)(=O)C(C)C)CC4)CC3)c2c1.
What is the InChIKey of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GLYGPGIYFSXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17(2)31(29,30)27-14-12-26(13-15-27)23(28)19-7-10-25(11-8-19)22-6-9-24-21-5-4-18(3)16-20(21)22/h4-6,9,16-17,19H,7-8,10-15H2,1-3H3.
What are the key properties of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone?
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 444.60 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 91952338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).