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

C13H18N2O3 — CID 82131455

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H18N2O3/c1-11(16)4-5-14-6-8-15(9-7-14)13(17)12-3-2-10-18-12/h2-3,10H,4-9H2,1H3
InChIKeyILNSUZJZMMZTHN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds4

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

4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one (PubChem CID 82131455) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
PubChem CID82131455
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H18N2O3/c1-11(16)4-5-14-6-8-15(9-7-14)13(17)12-3-2-10-18-12/h2-3,10H,4-9H2,1H3
InChIKeyILNSUZJZMMZTHN-UHFFFAOYSA-N
XLogP1.02
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl (Z)-3-aminobut-2-enoate
CID 70416273
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024404
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one (CID 82131455) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one is CC(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one?
The InChIKey is ILNSUZJZMMZTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-11(16)4-5-14-6-8-15(9-7-14)13(17)12-3-2-10-18-12/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one?
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one is sourced from PubChem (CID 82131455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).