(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C18H20N2O5 — CID 23605804

IUPAC(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1O[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O5/c21-16(12-2-1-7-24-12)19-3-5-20(6-4-19)17(22)14-10-8-11-13(9-10)25-18(23)15(11)14/h1-2,7,10-11,13-15H,3-6,8-9H2/t10-,11+,13-,14+,15-/m1/s1
InChIKeyHMXYPUFGBRZVAJ-QFCKPIOYSA-N
MW344.37 g/mol
LogP0.76
Rot. Bonds2

About (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one

(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 23605804) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID23605804
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1O[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O5/c21-16(12-2-1-7-24-12)19-3-5-20(6-4-19)17(22)14-10-8-11-13(9-10)25-18(23)15(11)14/h1-2,7,10-11,13-15H,3-6,8-9H2/t10-,11+,13-,14+,15-/m1/s1
InChIKeyHMXYPUFGBRZVAJ-QFCKPIOYSA-N
XLogP0.76
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one with MolForge

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Related Compounds

(1S,2S,3R,4S)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18557845
3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 47131799
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 109131470
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 23605804) is (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is HMXYPUFGBRZVAJ-QFCKPIOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-16(12-2-1-7-24-12)19-3-5-20(6-4-19)17(22)14-10-8-11-13(9-10)25-18(23)15(11)14/h1-2,7,10-11,13-15H,3-6,8-9H2/t10-,11+,13-,14+,15-/m1/s1.
What are the key properties of (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 344.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 23605804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).