[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide

C18H26N2O4S — CID 126777259

IUPAC[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O4S/c19-25(22,23)13-14-4-3-5-15(12-14)18(21)20-10-8-17(9-11-20)24-16-6-1-2-7-16/h3-5,12,16-17H,1-2,6-11,13H2,(H2,19,22,23)
InChIKeyVDYACXHTFVWQOD-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.04
Rot. Bonds5

About [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide

[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 126777259) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID126777259
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O4S/c19-25(22,23)13-14-4-3-5-15(12-14)18(21)20-10-8-17(9-11-20)24-16-6-1-2-7-16/h3-5,12,16-17H,1-2,6-11,13H2,(H2,19,22,23)
InChIKeyVDYACXHTFVWQOD-UHFFFAOYSA-N
XLogP2.04
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119765253
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027
2-[4-[3-(sulfamoylmethyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210932
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25475118
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
4-[3-(benzenesulfonylmethyl)benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55828071
1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
CID 43333364

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide (CID 126777259) is [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1.
What is the InChIKey of [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is VDYACXHTFVWQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c19-25(22,23)13-14-4-3-5-15(12-14)18(21)20-10-8-17(9-11-20)24-16-6-1-2-7-16/h3-5,12,16-17H,1-2,6-11,13H2,(H2,19,22,23).
What are the key properties of [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide?
[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 126777259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).