N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide

C19H19FN4O3 — CID 59486298

IUPACN-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H19FN4O3/c20-15-3-1-2-14(12-15)18(26)23-8-10-24(11-9-23)19(27)22-16-6-4-13(5-7-16)17(21)25/h1-7,12H,8-11H2,(H2,21,25)(H,22,27)
InChIKeyFFGGAEYLLPIXFB-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.91
Rot. Bonds3

About N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide

N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide (PubChem CID 59486298) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
PubChem CID59486298
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H19FN4O3/c20-15-3-1-2-14(12-15)18(26)23-8-10-24(11-9-23)19(27)22-16-6-4-13(5-7-16)17(21)25/h1-7,12H,8-11H2,(H2,21,25)(H,22,27)
InChIKeyFFGGAEYLLPIXFB-UHFFFAOYSA-N
XLogP1.91
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide (CID 59486298) is N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide is NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is FFGGAEYLLPIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-15-3-1-2-14(12-15)18(26)23-8-10-24(11-9-23)19(27)22-16-6-4-13(5-7-16)17(21)25/h1-7,12H,8-11H2,(H2,21,25)(H,22,27).
What are the key properties of N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 59486298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).