phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

C16H16N2O4 — CID 3758798

IUPACphenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N2O4/c19-15(14-7-4-12-21-14)17-8-10-18(11-9-17)16(20)22-13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyVEDZGCFJHWEYKQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.24
Rot. Bonds2

About phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (PubChem CID 3758798) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
PubChem CID3758798
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namephenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N2O4/c19-15(14-7-4-12-21-14)17-8-10-18(11-9-17)16(20)22-13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyVEDZGCFJHWEYKQ-UHFFFAOYSA-N
XLogP2.24
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (CID 3758798) is phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is VEDZGCFJHWEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(14-7-4-12-21-14)17-8-10-18(11-9-17)16(20)22-13-5-2-1-3-6-13/h1-7,12H,8-11H2.
What are the key properties of phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 3758798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).