1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione

C18H28N2O3 — CID 75394752

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
SMILESCC(=O)CCCCCCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H28N2O3/c1-16(21)7-4-2-3-5-9-18(22)20-12-10-19(11-13-20)15-17-8-6-14-23-17/h6,8,14H,2-5,7,9-13,15H2,1H3
InChIKeyJSRLVBKVHDBNBI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.85
Rot. Bonds9

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione

1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione (PubChem CID 75394752) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
PubChem CID75394752
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
SMILESCC(=O)CCCCCCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H28N2O3/c1-16(21)7-4-2-3-5-9-18(22)20-12-10-19(11-13-20)15-17-8-6-14-23-17/h6,8,14H,2-5,7,9-13,15H2,1H3
InChIKeyJSRLVBKVHDBNBI-UHFFFAOYSA-N
XLogP2.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19572432
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51305771
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78788998
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione (CID 75394752) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione is CC(=O)CCCCCCC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione?
The InChIKey is JSRLVBKVHDBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-16(21)7-4-2-3-5-9-18(22)20-12-10-19(11-13-20)15-17-8-6-14-23-17/h6,8,14H,2-5,7,9-13,15H2,1H3.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione has a molecular weight of 320.43 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione is sourced from PubChem (CID 75394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).