N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

C19H28FN3O3S — CID 132972784

IUPACN-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)NC2CCC(c3ccccc3F)C2)C1
InChIInChI=1S/C19H28FN3O3S/c1-21-27(25,26)13-14-5-4-10-23(12-14)19(24)22-16-9-8-15(11-16)17-6-2-3-7-18(17)20/h2-3,6-7,14-16,21H,4-5,8-13H2,1H3,(H,22,24)
InChIKeyDVYGLGLIWSNTRV-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 132972784) has the molecular formula C19H28FN3O3S and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
PubChem CID132972784
Molecular FormulaC19H28FN3O3S
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC NameN-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)NC2CCC(c3ccccc3F)C2)C1
InChIInChI=1S/C19H28FN3O3S/c1-21-27(25,26)13-14-5-4-10-23(12-14)19(24)22-16-9-8-15(11-16)17-6-2-3-7-18(17)20/h2-3,6-7,14-16,21H,4-5,8-13H2,1H3,(H,22,24)
InChIKeyDVYGLGLIWSNTRV-UHFFFAOYSA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
3-{[(benzylsulfonyl)amino]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
CID 16189502
3-{[(benzylsulfonyl)amino]methyl}-N-cyclohexylpiperidine-1-carboxamide
CID 16189516
2-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 45912579
1-{2-[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]ethyl}-3-(propan-2-YL)urea
CID 50822744
3-(Butan-2-YL)-1-{2-[1-(4-fluorobenzenesulfonyl)piperidin-4-YL]ethyl}urea
CID 50822745
N-[2-(2-fluorophenyl)ethyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 53505692
(4aS*,7aR*)-N-[2-(4-fluorophenyl)ethyl]-4-methylhexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70727326

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (CID 132972784) is N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is CNS(=O)(=O)CC1CCCN(C(=O)NC2CCC(c3ccccc3F)C2)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is DVYGLGLIWSNTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3S/c1-21-27(25,26)13-14-5-4-10-23(12-14)19(24)22-16-9-8-15(11-16)17-6-2-3-7-18(17)20/h2-3,6-7,14-16,21H,4-5,8-13H2,1H3,(H,22,24).
What are the key properties of N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 132972784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).