(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

C18H26FN3O3S — CID 92687132

IUPAC(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H26FN3O3S/c1-21(17-10-8-15(19)9-11-17)26(24,25)22-12-4-5-14(13-22)18(23)20-16-6-2-3-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyDJIWHOJTFVDBIF-CQSZACIVSA-N
MW383.49 g/mol
LogP2.28
Rot. Bonds5

About (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (PubChem CID 92687132) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
PubChem CID92687132
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H26FN3O3S/c1-21(17-10-8-15(19)9-11-17)26(24,25)22-12-4-5-14(13-22)18(23)20-16-6-2-3-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyDJIWHOJTFVDBIF-CQSZACIVSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 92687131
N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552907
N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552921
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 133239624
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (CID 92687132) is (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The InChIKey is DJIWHOJTFVDBIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-21(17-10-8-15(19)9-11-17)26(24,25)22-12-4-5-14(13-22)18(23)20-16-6-2-3-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).