2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one

C17H30N2O — CID 83258443

IUPAC2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C17H30N2O/c1-3-15-18-17(11-7-8-12-17)16(20)19(15)14-10-6-4-5-9-13(14)2/h13-15,18H,3-12H2,1-2H3
InChIKeyLKHBNNNCFVKKSQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.44
Rot. Bonds2

About 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one

2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83258443) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83258443
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C17H30N2O/c1-3-15-18-17(11-7-8-12-17)16(20)19(15)14-10-6-4-5-9-13(14)2/h13-15,18H,3-12H2,1-2H3
InChIKeyLKHBNNNCFVKKSQ-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258447
5-ethyl-6-(2-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237288
3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
2-methyl-3-(2-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83238017
5-ethyl-6-(2-methylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255583
2-ethyl-3-(2-methoxycyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83254141
2-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270692
2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147
2-ethyl-3-(4-hydroxycyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239217
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83258443) is 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1C1CCCCCC1C.
What is the InChIKey of 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LKHBNNNCFVKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-15-18-17(11-7-8-12-17)16(20)19(15)14-10-6-4-5-9-13(14)2/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83258443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).