N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide

C16H31N3O4S — CID 70702982

IUPACN-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-18(2)24(21,22)19-11-8-14(9-12-19)16(20)17-10-5-13-23-15-6-3-4-7-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyKCJYODIMPLBACV-UHFFFAOYSA-N
MW361.51 g/mol
LogP0.97
Rot. Bonds8

About N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide

N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 70702982) has the molecular formula C16H31N3O4S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
PubChem CID70702982
Molecular FormulaC16H31N3O4S
Molecular Weight361.51 g/mol
Exact Mass361.20
IUPAC NameN-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-18(2)24(21,22)19-11-8-14(9-12-19)16(20)17-10-5-13-23-15-6-3-4-7-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyKCJYODIMPLBACV-UHFFFAOYSA-N
XLogP0.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
CID 24504654
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
CID 56920324
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide (CID 70702982) is N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide is CN(C)S(=O)(=O)N1CCC(C(=O)NCCCOC2CCCC2)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is KCJYODIMPLBACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S/c1-18(2)24(21,22)19-11-8-14(9-12-19)16(20)17-10-5-13-23-15-6-3-4-7-15/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 70702982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).