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

C11H14FN3O — CID 63103446

IUPACN-(3-fluorophenyl)piperazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CNCCN1
InChIInChI=1S/C11H14FN3O/c12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h1-3,6,10,13-14H,4-5,7H2,(H,15,16)
InChIKeyPUMFTEZVNOLXIZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.33
Rot. Bonds2

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

N-(3-fluorophenyl)piperazine-2-carboxamide (PubChem CID 63103446) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)piperazine-2-carboxamide
PubChem CID63103446
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-(3-fluorophenyl)piperazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CNCCN1
InChIInChI=1S/C11H14FN3O/c12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h1-3,6,10,13-14H,4-5,7H2,(H,15,16)
InChIKeyPUMFTEZVNOLXIZ-UHFFFAOYSA-N
XLogP0.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)piperazine-2-carboxamide
CID 63103447
N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 55177452
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide
CID 98779497
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
N-(3-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890291
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)piperazine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)piperazine-2-carboxamide (CID 63103446) is N-(3-fluorophenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)piperazine-2-carboxamide is O=C(Nc1cccc(F)c1)C1CNCCN1.
What is the InChIKey of N-(3-fluorophenyl)piperazine-2-carboxamide?
The InChIKey is PUMFTEZVNOLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h1-3,6,10,13-14H,4-5,7H2,(H,15,16).
What are the key properties of N-(3-fluorophenyl)piperazine-2-carboxamide?
N-(3-fluorophenyl)piperazine-2-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).