4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide

C13H18N2O4S — CID 71166636

IUPAC4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(OC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-8-15(9-7-11)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16)
InChIKeyMGXYAZRZGJCDRO-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.01
Rot. Bonds3

About 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide

4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide (PubChem CID 71166636) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
PubChem CID71166636
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(OC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-8-15(9-7-11)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16)
InChIKeyMGXYAZRZGJCDRO-UHFFFAOYSA-N
XLogP1.01
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91273291
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980
(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
1-[4-[4-(4-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 158699547
propan-2-yl 4-[3-(4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate
CID 143981454
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
ethyl 4-[1-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperidin-4-yl]oxybenzoate
CID 58673065
4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204715
(4-methylsulfonylphenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 69137732

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide (CID 71166636) is 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide is CS(=O)(=O)c1ccc(OC2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide?
The InChIKey is MGXYAZRZGJCDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-8-15(9-7-11)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16).
What are the key properties of 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide?
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 71166636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).