1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone

C14H20N2O2 — CID 97412788

IUPAC1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
SMILESCC(=O)N1CCC12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C14H20N2O2/c1-12(17)16-8-5-14(16)3-6-15(7-4-14)10-13-2-9-18-11-13/h2,9,11H,3-8,10H2,1H3
InChIKeySQGLIYFNIXUQNG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds2

About 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone

1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone (PubChem CID 97412788) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
PubChem CID97412788
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
SMILESCC(=O)N1CCC12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C14H20N2O2/c1-12(17)16-8-5-14(16)3-6-15(7-4-14)10-13-2-9-18-11-13/h2,9,11H,3-8,10H2,1H3
InChIKeySQGLIYFNIXUQNG-UHFFFAOYSA-N
XLogP1.87
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743295
6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118739709
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
(3S)-2-acetyl-8-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127460
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
2-[8-(furan-3-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155855309
(3R)-8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371272
8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847498
[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 97392927

Frequently Asked Questions

What is the IUPAC name of 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The IUPAC name of 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone (CID 97412788) is 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone.
What is the SMILES notation for 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The canonical SMILES for 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone is CC(=O)N1CCC12CCN(Cc1ccoc1)CC2.
What is the InChIKey of 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
The InChIKey is SQGLIYFNIXUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(17)16-8-5-14(16)3-6-15(7-4-14)10-13-2-9-18-11-13/h2,9,11H,3-8,10H2,1H3.
What are the key properties of 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone?
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone is sourced from PubChem (CID 97412788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).