2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one

C16H29N3O — CID 83250222

IUPAC2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1C1CCN(C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)10-14-17-16(7-4-5-8-16)15(20)19(14)13-6-9-18(3)11-13/h12-14,17H,4-11H2,1-3H3
InChIKeyDMMODVBWZRLNKE-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one

2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83250222) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83250222
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1C1CCN(C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)10-14-17-16(7-4-5-8-16)15(20)19(14)13-6-9-18(3)11-13/h12-14,17H,4-11H2,1-3H3
InChIKeyDMMODVBWZRLNKE-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922
3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
5-(2-methylpropyl)-6-(thiolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103065437
6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263149
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253349
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
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-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83250222) is 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC1NC2(CCCC2)C(=O)N1C1CCN(C)C1.
What is the InChIKey of 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is DMMODVBWZRLNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)10-14-17-16(7-4-5-8-16)15(20)19(14)13-6-9-18(3)11-13/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one?
2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83250222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).