1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone

C16H22N2O4 — CID 110414536

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N2O4/c19-15(12-13-4-1-2-10-21-13)17-6-8-18(9-7-17)16(20)14-5-3-11-22-14/h3,5,11,13H,1-2,4,6-10,12H2
InChIKeyZFALEKHSTFJTKS-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110414536) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110414536
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N2O4/c19-15(12-13-4-1-2-10-21-13)17-6-8-18(9-7-17)16(20)14-5-3-11-22-14/h3,5,11,13H,1-2,4,6-10,12H2
InChIKeyZFALEKHSTFJTKS-UHFFFAOYSA-N
XLogP1.52
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110632671
furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
CID 164630611
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
1-[4-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 71975296
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608462
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone (CID 110414536) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone is O=C(CC1CCCCO1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is ZFALEKHSTFJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(12-13-4-1-2-10-21-13)17-6-8-18(9-7-17)16(20)14-5-3-11-22-14/h3,5,11,13H,1-2,4,6-10,12H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110414536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).