N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

C17H22FN3O2S — CID 163346469

IUPACN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(Cc2ccc(C#N)cc2F)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C17H22FN3O2S/c1-20(24(22,23)16-6-7-16)15-3-2-8-21(12-15)11-14-5-4-13(10-19)9-17(14)18/h4-5,9,15-16H,2-3,6-8,11-12H2,1H3
InChIKeyWFVXQIXQHPBHPP-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.09
Rot. Bonds5

About N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346469) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346469
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(Cc2ccc(C#N)cc2F)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C17H22FN3O2S/c1-20(24(22,23)16-6-7-16)15-3-2-8-21(12-15)11-14-5-4-13(10-19)9-17(14)18/h4-5,9,15-16H,2-3,6-8,11-12H2,1H3
InChIKeyWFVXQIXQHPBHPP-UHFFFAOYSA-N
XLogP2.09
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892798
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
3-fluoro-4-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]benzonitrile
CID 94064168
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346351
4-fluoro-3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]benzonitrile
CID 36800430
3-[(3-aminopiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 61297606
4-fluoro-3-[[methyl-[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzonitrile
CID 95606335
3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 155976045

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 163346469) is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is CN(C1CCCN(Cc2ccc(C#N)cc2F)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is WFVXQIXQHPBHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-20(24(22,23)16-6-7-16)15-3-2-8-21(12-15)11-14-5-4-13(10-19)9-17(14)18/h4-5,9,15-16H,2-3,6-8,11-12H2,1H3.
What are the key properties of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).