1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

C14H20N2O3 — CID 694979

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyBVRKQKATEGHFQQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 694979) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID694979
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyBVRKQKATEGHFQQ-UHFFFAOYSA-N
XLogP1.61
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 694979) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is BVRKQKATEGHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 694979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).