1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide

C13H14FN3O — CID 2805614

IUPAC1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1c(F)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H14FN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18)
InChIKeyULUBUCYVLARITI-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.40
Rot. Bonds2

About 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide

1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 2805614) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide
PubChem CID2805614
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1c(F)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H14FN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18)
InChIKeyULUBUCYVLARITI-UHFFFAOYSA-N
XLogP1.40
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Cyano-3-fluorophenyl)piperidine-4-carbonitrile
CID 2806148
N-(2-cyanophenyl)pentanamide
CID 2295226
1-(3-Chloro-2-cyanophenyl)piperidine-4-carboxamide
CID 2805611
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655002
1-Benzyl-N-phenylpiperidine-4-carboxamide
CID 27234434
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(3-cyano-5-fluorophenyl)piperidine-4-carboxamide
CID 129105373
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide
CID 153682094
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(4-cyano-2-fluorophenyl)piperidine-4-carboxamide
CID 153682117
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(2-cyano-4-fluorophenyl)piperidine-4-carboxamide
CID 153682135
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(4-cyano-3-fluorophenyl)piperidine-4-carboxamide
CID 153682142
N-(2-cyanophenyl)-2-ethylhexanamide
CID 654718
(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 7480458

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide (CID 2805614) is 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide is N#Cc1c(F)cccc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is ULUBUCYVLARITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18).
What are the key properties of 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide?
1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2805614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).