(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone

C18H26N2O5S2 — CID 90585194

IUPAC(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O5S2/c1-26(22,23)16-9-13-19(14-10-16)18(21)15-5-7-17(8-6-15)27(24,25)20-11-3-2-4-12-20/h5-8,16H,2-4,9-14H2,1H3
InChIKeyGDGWGNXXJXKTIT-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.51
Rot. Bonds4

About (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone

(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 90585194) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID90585194
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC Name(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O5S2/c1-26(22,23)16-9-13-19(14-10-16)18(21)15-5-7-17(8-6-15)27(24,25)20-11-3-2-4-12-20/h5-8,16H,2-4,9-14H2,1H3
InChIKeyGDGWGNXXJXKTIT-UHFFFAOYSA-N
XLogP1.51
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90591106
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90591104
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone (CID 90585194) is (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is GDGWGNXXJXKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c1-26(22,23)16-9-13-19(14-10-16)18(21)15-5-7-17(8-6-15)27(24,25)20-11-3-2-4-12-20/h5-8,16H,2-4,9-14H2,1H3.
What are the key properties of (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone?
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 414.55 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 90585194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).