4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one

C12H22N2O2 — CID 97399284

IUPAC4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCOC2(CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyPCMIHMPELFLSSI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one

4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one (PubChem CID 97399284) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
PubChem CID97399284
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCOC2(CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyPCMIHMPELFLSSI-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693240
acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
CID 154922136
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 128783740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one (CID 97399284) is 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one is CC(C)CCC(=O)N1CCOC2(CNC2)C1.
What is the InChIKey of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The InChIKey is PCMIHMPELFLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one is sourced from PubChem (CID 97399284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).