5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

C16H27N3O — CID 83245762

IUPAC5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CCC(CN2C(=O)C3(CC3)NC2C2CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-18-9-6-12(10-18)11-19-14(13-4-2-3-5-13)17-16(7-8-16)15(19)20/h12-14,17H,2-11H2,1H3
InChIKeyRIBXFOICTOPKJB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.42
Rot. Bonds3

About 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245762) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245762
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CCC(CN2C(=O)C3(CC3)NC2C2CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-18-9-6-12(10-18)11-19-14(13-4-2-3-5-13)17-16(7-8-16)15(19)20/h12-14,17H,2-11H2,1H3
InChIKeyRIBXFOICTOPKJB-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
5-cyclopentyl-6-(3-methyl-2-propan-2-ylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 102916097
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263190
2-cyclopentyl-3-(2-methylsulfanylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257871
6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253351
5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260733
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
2-cyclopentyl-3-(thiolan-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270006
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83245762) is 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is CN1CCC(CN2C(=O)C3(CC3)NC2C2CCCC2)C1.
What is the InChIKey of 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RIBXFOICTOPKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-9-6-12(10-18)11-19-14(13-4-2-3-5-13)17-16(7-8-16)15(19)20/h12-14,17H,2-11H2,1H3.
What are the key properties of 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 277.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).