3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one

C18H32N2O — CID 107421436

IUPAC3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CC1CCCC1C
InChIInChI=1S/C18H32N2O/c1-13(2)11-16-19-18(9-4-5-10-18)17(21)20(16)12-15-8-6-7-14(15)3/h13-16,19H,4-12H2,1-3H3
InChIKeyDTCFIQHJRFOTNW-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds4

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

3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 107421436) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID107421436
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CC1CCCC1C
InChIInChI=1S/C18H32N2O/c1-13(2)11-16-19-18(9-4-5-10-18)17(21)20(16)12-15-8-6-7-14(15)3/h13-16,19H,4-12H2,1-3H3
InChIKeyDTCFIQHJRFOTNW-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 107421436) is 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC1NC2(CCCC2)C(=O)N1CC1CCCC1C.
What is the InChIKey of 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is DTCFIQHJRFOTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)11-16-19-18(9-4-5-10-18)17(21)20(16)12-15-8-6-7-14(15)3/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 292.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 107421436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).