N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

C16H21FN4O3S — CID 126838367

IUPACN-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C16H21FN4O3S/c1-19-25(23,24)11-13-3-2-6-21(10-13)16(22)20-9-12-4-5-14(8-18)15(17)7-12/h4-5,7,13,19H,2-3,6,9-11H2,1H3,(H,20,22)
InChIKeyNYLJFTWCCOWSIV-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.17
Rot. Bonds5

About N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 126838367) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
PubChem CID126838367
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C16H21FN4O3S/c1-19-25(23,24)11-13-3-2-6-21(10-13)16(22)20-9-12-4-5-14(8-18)15(17)7-12/h4-5,7,13,19H,2-3,6,9-11H2,1H3,(H,20,22)
InChIKeyNYLJFTWCCOWSIV-UHFFFAOYSA-N
XLogP1.17
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 45912577
4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 48955554
1-(4-Fluorobenzyl)-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688394
3-{2-[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]ethyl}-1-[(4-methylphenyl)methyl]urea
CID 50822680
N-(tert-butyl)-4-(((2,5-difluorophenyl)methylsulfonamido)methyl)piperidine-1-carboxamide
CID 71796758
1-Methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 40077030
3-[2-(Diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 56782564
N-tert-butyl-4-({[4-(trifluoromethyl)phenyl]methanesulfonamido}methyl)piperidine-1-carboxamide
CID 71796759
1-[(4-Cyano-2-fluorophenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 72144821
N-benzyl-4-sulfamoylpiperidine-1-carboxamide
CID 100673465
N-[2-(ethylsulfonyl)ethyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 124205419
N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124618033

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (CID 126838367) is N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is CNS(=O)(=O)CC1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is NYLJFTWCCOWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-19-25(23,24)11-13-3-2-6-21(10-13)16(22)20-9-12-4-5-14(8-18)15(17)7-12/h4-5,7,13,19H,2-3,6,9-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126838367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).