2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide

C15H22FN3O — CID 64978331

IUPAC2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccccc2F)C(CC)CN1
InChIInChI=1S/C15H22FN3O/c1-3-11-10-19(12(4-2)9-17-11)15(20)18-14-8-6-5-7-13(14)16/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyOGFXSQFRGKLWOD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds3

About 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide

2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 64978331) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID64978331
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccccc2F)C(CC)CN1
InChIInChI=1S/C15H22FN3O/c1-3-11-10-19(12(4-2)9-17-11)15(20)18-14-8-6-5-7-13(14)16/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyOGFXSQFRGKLWOD-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 64978294
2,5-diethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 64978319
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 103352598
N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide
CID 64978706
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 64978331) is 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide is CCC1CN(C(=O)Nc2ccccc2F)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is OGFXSQFRGKLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-11-10-19(12(4-2)9-17-11)15(20)18-14-8-6-5-7-13(14)16/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 64978331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).