4-(4-fluorophenyl)piperazine-1-carboxamide

C11H14FN3O — CID 851859

IUPAC4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKeyXARVCWHXIZRCGB-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.03
Rot. Bonds1

About 4-(4-fluorophenyl)piperazine-1-carboxamide

4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 851859) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID851859
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKeyXARVCWHXIZRCGB-UHFFFAOYSA-N
XLogP1.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)piperazine-1-carboxamide (CID 851859) is 4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)piperazine-1-carboxamide is NC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is XARVCWHXIZRCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16).
What are the key properties of 4-(4-fluorophenyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).