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

C17H26N2O3 — CID 134022004

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-16(20)18-9-11-19(12-10-18)17(21)15-8-13-22-14-15/h8,13-14H,2-7,9-12H2,1H3
InChIKeyUXBWNXPGBLLDMJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds7

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

1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one (PubChem CID 134022004) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
PubChem CID134022004
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-16(20)18-9-11-19(12-10-18)17(21)15-8-13-22-14-15/h8,13-14H,2-7,9-12H2,1H3
InChIKeyUXBWNXPGBLLDMJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32528448
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
1-(3,4-dimethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32533921
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 32532204
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one (CID 134022004) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one is CCCCCCCC(=O)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one?
The InChIKey is UXBWNXPGBLLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-16(20)18-9-11-19(12-10-18)17(21)15-8-13-22-14-15/h8,13-14H,2-7,9-12H2,1H3.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one?
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one has a molecular weight of 306.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one is sourced from PubChem (CID 134022004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).