[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

C18H27N3O5S2 — CID 24542893

IUPAC[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-15-7-9-21(10-8-15)28(25,26)17-5-3-16(4-6-17)18(22)19-11-13-20(14-12-19)27(2,23)24/h3-6,15H,7-14H2,1-2H3
InChIKeyYJXZXDKITVLFRV-UHFFFAOYSA-N
MW429.56 g/mol
LogP0.82
Rot. Bonds4

About [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 24542893) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID24542893
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Name[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-15-7-9-21(10-8-15)28(25,26)17-5-3-16(4-6-17)18(22)19-11-13-20(14-12-19)27(2,23)24/h3-6,15H,7-14H2,1-2H3
InChIKeyYJXZXDKITVLFRV-UHFFFAOYSA-N
XLogP0.82
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 52724326
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methanone
CID 92673416
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 43988458
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 24542893) is [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1.
What is the InChIKey of [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YJXZXDKITVLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-15-7-9-21(10-8-15)28(25,26)17-5-3-16(4-6-17)18(22)19-11-13-20(14-12-19)27(2,23)24/h3-6,15H,7-14H2,1-2H3.
What are the key properties of [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 429.56 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 24542893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).