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

C17H30N2O — CID 83257143

IUPAC3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1C(C)CC1CC1
InChIInChI=1S/C17H30N2O/c1-12(2)10-15-18-17(8-4-5-9-17)16(20)19(15)13(3)11-14-6-7-14/h12-15,18H,4-11H2,1-3H3
InChIKeyIWIWDLZHHICRSP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds5

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

3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83257143) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83257143
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1C(C)CC1CC1
InChIInChI=1S/C17H30N2O/c1-12(2)10-15-18-17(8-4-5-9-17)16(20)19(15)13(3)11-14-6-7-14/h12-15,18H,4-11H2,1-3H3
InChIKeyIWIWDLZHHICRSP-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83253710
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83259165
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83250222
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83257143) is 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC1NC2(CCCC2)C(=O)N1C(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is IWIWDLZHHICRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)10-15-18-17(8-4-5-9-17)16(20)19(15)13(3)11-14-6-7-14/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83257143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).