2-(2-fluorophenyl)piperazine-1-carboxamide

C11H14FN3O — CID 66764589

IUPAC2-(2-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ccccc1F
InChIInChI=1S/C11H14FN3O/c12-9-4-2-1-3-8(9)10-7-14-5-6-15(10)11(13)16/h1-4,10,14H,5-7H2,(H2,13,16)
InChIKeyUSLYIXCPNHUKRG-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.85
Rot. Bonds1

About 2-(2-fluorophenyl)piperazine-1-carboxamide

2-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 66764589) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID66764589
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-(2-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ccccc1F
InChIInChI=1S/C11H14FN3O/c12-9-4-2-1-3-8(9)10-7-14-5-6-15(10)11(13)16/h1-4,10,14H,5-7H2,(H2,13,16)
InChIKeyUSLYIXCPNHUKRG-UHFFFAOYSA-N
XLogP0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)piperazine-1-carboxamide (CID 66764589) is 2-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)piperazine-1-carboxamide is NC(=O)N1CCNCC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is USLYIXCPNHUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-4-2-1-3-8(9)10-7-14-5-6-15(10)11(13)16/h1-4,10,14H,5-7H2,(H2,13,16).
What are the key properties of 2-(2-fluorophenyl)piperazine-1-carboxamide?
2-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 66764589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).