2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

C12H16FN3O — CID 134583974

IUPAC2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(N)=O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN3O/c1-15-6-7-16(12(14)17)11(8-15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H2,14,17)
InChIKeyJEGCTSJHEFGJIU-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.19
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 134583974) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID134583974
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(N)=O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN3O/c1-15-6-7-16(12(14)17)11(8-15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H2,14,17)
InChIKeyJEGCTSJHEFGJIU-UHFFFAOYSA-N
XLogP1.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (CID 134583974) is 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(N)=O)C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is JEGCTSJHEFGJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-15-6-7-16(12(14)17)11(8-15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H2,14,17).
What are the key properties of 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 134583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).