N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide

C15H18FN3O — CID 63128180

IUPACN-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCNCC1
InChIInChI=1S/C15H18FN3O/c1-2-15(6-8-18-9-7-15)14(20)19-13-5-3-4-12(16)11(13)10-17/h3-5,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyDYZNTMGTNJCNEH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide

N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 63128180) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
PubChem CID63128180
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCNCC1
InChIInChI=1S/C15H18FN3O/c1-2-15(6-8-18-9-7-15)14(20)19-13-5-3-4-12(16)11(13)10-17/h3-5,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyDYZNTMGTNJCNEH-UHFFFAOYSA-N
XLogP2.42
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655756
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127964
N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43580810
N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
CID 63127309
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide (CID 63128180) is N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2cccc(F)c2C#N)CCNCC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is DYZNTMGTNJCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-15(6-8-18-9-7-15)14(20)19-13-5-3-4-12(16)11(13)10-17/h3-5,18H,2,6-9H2,1H3,(H,19,20).
What are the key properties of N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.42, 3 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)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).