2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide

C20H20FN3O — CID 154846472

IUPAC2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide
SMILESN#CC(c1ccccc1)C1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C20H20FN3O/c21-17-7-4-8-18(19(17)20(23)25)24-11-9-15(10-12-24)16(13-22)14-5-2-1-3-6-14/h1-8,15-16H,9-12H2,(H2,23,25)
InChIKeyFBXRMBSMOYFNEG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.45
Rot. Bonds4

About 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide

2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide (PubChem CID 154846472) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide
PubChem CID154846472
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide
SMILESN#CC(c1ccccc1)C1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C20H20FN3O/c21-17-7-4-8-18(19(17)20(23)25)24-11-9-15(10-12-24)16(13-22)14-5-2-1-3-6-14/h1-8,15-16H,9-12H2,(H2,23,25)
InChIKeyFBXRMBSMOYFNEG-UHFFFAOYSA-N
XLogP3.45
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-phenylacetonitrile
CID 69324215
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
CID 136569056
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 79515615
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745
2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
CID 136568984
2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
CID 114884814
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-[1-(2-carbamothioyl-3-fluorophenyl)piperidin-4-yl]acetamide
CID 79512494
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 60789324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide (CID 154846472) is 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide is N#CC(c1ccccc1)C1CCN(c2cccc(F)c2C(N)=O)CC1.
What is the InChIKey of 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide?
The InChIKey is FBXRMBSMOYFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-7-4-8-18(19(17)20(23)25)24-11-9-15(10-12-24)16(13-22)14-5-2-1-3-6-14/h1-8,15-16H,9-12H2,(H2,23,25).
What are the key properties of 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide?
2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide has a molecular weight of 337.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 154846472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).