N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C16H20FN3O3 — CID 6470055

IUPACN-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-3-5-13(6-4-12)18-16(22)20-9-7-19(8-10-20)15(21)14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,18,22)
InChIKeyDGWAJYZERHDJAX-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.68
Rot. Bonds2

About N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 6470055) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID6470055
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-3-5-13(6-4-12)18-16(22)20-9-7-19(8-10-20)15(21)14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,18,22)
InChIKeyDGWAJYZERHDJAX-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 6470055) is N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DGWAJYZERHDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-3-5-13(6-4-12)18-16(22)20-9-7-19(8-10-20)15(21)14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,18,22).
What are the key properties of N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 6470055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).