1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone

C13H22N2O2 — CID 8006933

IUPAC1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(16)14-8-9-15(12(2)17)13(10-14)6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyAZMAUFNSTDXFHV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds

About 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone

1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone (PubChem CID 8006933) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone
PubChem CID8006933
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(16)14-8-9-15(12(2)17)13(10-14)6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyAZMAUFNSTDXFHV-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(N,N-diethylglycyl)-2,2,6,6-tetramethyl-
CID 104579
1-{1,4-Diazaspiro[5.5]undecan-1-yl}ethan-1-one
CID 64975321
1-Acetyl-4-(4-methylcyclohexyl)piperazine
CID 784031
N-(1-methylcyclohexyl)-2-piperidin-1-ylacetamide
CID 3066029
3-Methyl-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one
CID 712492
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 47011077
1-[4-(3-Methylcyclohexyl)piperazin-1-yl]ethanone
CID 2846457
1-(7,15-Diazadispiro[5.1.5~8~.3~6~]hexadecan-15-yl)ethan-1-one
CID 15557882
4-Tert-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one
CID 19881435
1,4-Dimethyl-1,4-diazaspiro[5.5]undecan-5-one
CID 20300521
4-Butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one
CID 20564925
1-(Cyclohexylmethyl)-4-ethylpiperazine-2,5-dione
CID 20641708

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone?
The IUPAC name of 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone (CID 8006933) is 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone is CC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1.
What is the InChIKey of 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone?
The InChIKey is AZMAUFNSTDXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(16)14-8-9-15(12(2)17)13(10-14)6-4-3-5-7-13/h3-10H2,1-2H3.
What are the key properties of 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone?
1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-1,4-diazaspiro[5.5]undecan-4-yl)ethanone is sourced from PubChem (CID 8006933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).