2-(3-fluorophenyl)piperazine-1-carboxamide

C11H14FN3O — CID 68836019

IUPAC2-(3-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-3-1-2-8(6-9)10-7-14-4-5-15(10)11(13)16/h1-3,6,10,14H,4-5,7H2,(H2,13,16)
InChIKeyFUSYTFBZRQJPAW-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.85
Rot. Bonds1

About 2-(3-fluorophenyl)piperazine-1-carboxamide

2-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 68836019) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID68836019
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-(3-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-3-1-2-8(6-9)10-7-14-4-5-15(10)11(13)16/h1-3,6,10,14H,4-5,7H2,(H2,13,16)
InChIKeyFUSYTFBZRQJPAW-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)piperazine-1-carboxamide (CID 68836019) is 2-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)piperazine-1-carboxamide is NC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FUSYTFBZRQJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-3-1-2-8(6-9)10-7-14-4-5-15(10)11(13)16/h1-3,6,10,14H,4-5,7H2,(H2,13,16).
What are the key properties of 2-(3-fluorophenyl)piperazine-1-carboxamide?
2-(3-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-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 68836019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).