N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide

C16H20FN3O — CID 83199187

IUPACN-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCNC1
InChIInChI=1S/C16H20FN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-5-6-14(17)11(8-13)9-18/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21)
InChIKeyXGGSATRRLIPLAA-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83199187) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83199187
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCNC1
InChIInChI=1S/C16H20FN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-5-6-14(17)11(8-13)9-18/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21)
InChIKeyXGGSATRRLIPLAA-UHFFFAOYSA-N
XLogP2.66
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199456
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656
N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 103885084
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208842
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 83199187) is N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCNC1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is XGGSATRRLIPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-5-6-14(17)11(8-13)9-18/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 289.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83199187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).