3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one

C15H27N3O — CID 83257748

IUPAC3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(CCN1CNC2(CCCC2)C1=O)C1CCCC1
InChIInChI=1S/C15H27N3O/c1-17(13-6-2-3-7-13)10-11-18-12-16-15(14(18)19)8-4-5-9-15/h13,16H,2-12H2,1H3
InChIKeyBFIXSEDBCSOTMG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds4

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

3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83257748) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83257748
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(CCN1CNC2(CCCC2)C1=O)C1CCCC1
InChIInChI=1S/C15H27N3O/c1-17(13-6-2-3-7-13)10-11-18-12-16-15(14(18)19)8-4-5-9-15/h13,16H,2-12H2,1H3
InChIKeyBFIXSEDBCSOTMG-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 83257748) is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is CN(CCN1CNC2(CCCC2)C1=O)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is BFIXSEDBCSOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(13-6-2-3-7-13)10-11-18-12-16-15(14(18)19)8-4-5-9-15/h13,16H,2-12H2,1H3.
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 265.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83257748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).