3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C17H30N2O — CID 83271222

IUPAC3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCCC1(C)C
InChIInChI=1S/C17H30N2O/c1-4-8-14-18-17(11-5-6-12-17)15(20)19(14)13-9-7-10-16(13,2)3/h13-14,18H,4-12H2,1-3H3
InChIKeyZZDZFMKBCQTPMD-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.44
Rot. Bonds3

About 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83271222) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83271222
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCCC1(C)C
InChIInChI=1S/C17H30N2O/c1-4-8-14-18-17(11-5-6-12-17)15(20)19(14)13-9-7-10-16(13,2)3/h13-14,18H,4-12H2,1-3H3
InChIKeyZZDZFMKBCQTPMD-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-dimethylcyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270591
6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270898
3-(2,2-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258710
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
6-(2,2-dimethylcyclopentyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270264
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one
CID 83269555
6-(2-methylcyclopropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255505
6-(2-methoxycyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251733
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83271222) is 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1C1CCCC1(C)C.
What is the InChIKey of 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is ZZDZFMKBCQTPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-14-18-17(11-5-6-12-17)15(20)19(14)13-9-7-10-16(13,2)3/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83271222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).