N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide

C13H14FN3O — CID 43580743

IUPACN-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H14FN3O/c14-11-4-1-5-12(10(11)7-15)17-13(18)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6,8H2,(H,17,18)
InChIKeyYZLUEXBZRRBQJQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.64
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide

N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43580743) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
PubChem CID43580743
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H14FN3O/c14-11-4-1-5-12(10(11)7-15)17-13(18)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6,8H2,(H,17,18)
InChIKeyYZLUEXBZRRBQJQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
5-[(2-cyano-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687786
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 71999484

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide (CID 43580743) is N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is YZLUEXBZRRBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-4-1-5-12(10(11)7-15)17-13(18)9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6,8H2,(H,17,18).
What are the key properties of N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide?
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43580743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).