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

C19H22FN3O — CID 6467355

IUPACN-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-2-15-3-7-17(8-4-15)21-19(24)23-13-11-22(12-14-23)18-9-5-16(20)6-10-18/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyXVPAXABLDFKCJC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.74
Rot. Bonds3

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

N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 6467355) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID6467355
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-2-15-3-7-17(8-4-15)21-19(24)23-13-11-22(12-14-23)18-9-5-16(20)6-10-18/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyXVPAXABLDFKCJC-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 6467355) is N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is XVPAXABLDFKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-2-15-3-7-17(8-4-15)21-19(24)23-13-11-22(12-14-23)18-9-5-16(20)6-10-18/h3-10H,2,11-14H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6467355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).