1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C15H22N2O3 — CID 95043139

IUPAC1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@]2(CCCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C15H22N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h3,7,10H,2,4-6,8-9,11-12H2,1H3/t15-/m1/s1
InChIKeyXUWDIHJQHQLMQA-OAHLLOKOSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds2

About 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 95043139) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID95043139
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@]2(CCCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C15H22N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h3,7,10H,2,4-6,8-9,11-12H2,1H3/t15-/m1/s1
InChIKeyXUWDIHJQHQLMQA-OAHLLOKOSA-N
XLogP1.49
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone with MolForge

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Related Compounds

1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one
CID 155876612
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 131649622
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
CID 97450771
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 124522552
1-[(6S)-4-benzylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043176
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131650230
[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 131940284
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (CID 95043139) is 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is CC(=O)N1CCO[C@@]2(CCCN(Cc3ccoc3)C2)C1.
What is the InChIKey of 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is XUWDIHJQHQLMQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h3,7,10H,2,4-6,8-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 95043139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).