[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C25H33N3O3S — CID 43920450

IUPAC[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)N4CCC(C)CC4)cc3)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-20-3-9-24(10-4-20)32(30,31)28-17-15-26(16-18-28)19-22-5-7-23(8-6-22)25(29)27-13-11-21(2)12-14-27/h3-10,21H,11-19H2,1-2H3
InChIKeyRXSCPQRWVUCVGO-UHFFFAOYSA-N
MW455.62 g/mol
LogP3.37
Rot. Bonds5

About [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 43920450) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID43920450
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)N4CCC(C)CC4)cc3)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-20-3-9-24(10-4-20)32(30,31)28-17-15-26(16-18-28)19-22-5-7-23(8-6-22)25(29)27-13-11-21(2)12-14-27/h3-10,21H,11-19H2,1-2H3
InChIKeyRXSCPQRWVUCVGO-UHFFFAOYSA-N
XLogP3.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methanone
CID 92673416
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 43920450) is [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)N4CCC(C)CC4)cc3)CC2)cc1.
What is the InChIKey of [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RXSCPQRWVUCVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-20-3-9-24(10-4-20)32(30,31)28-17-15-26(16-18-28)19-22-5-7-23(8-6-22)25(29)27-13-11-21(2)12-14-27/h3-10,21H,11-19H2,1-2H3.
What are the key properties of [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 455.62 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43920450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).