1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one

C13H24N2O — CID 137433036

IUPAC1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C13H24N2O/c1-11(2)3-4-12(16)15-7-5-13(6-8-15)9-14-10-13/h11,14H,3-10H2,1-2H3
InChIKeyZNXLAGHALCBONT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one

1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one (PubChem CID 137433036) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
PubChem CID137433036
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C13H24N2O/c1-11(2)3-4-12(16)15-7-5-13(6-8-15)9-14-10-13/h11,14H,3-10H2,1-2H3
InChIKeyZNXLAGHALCBONT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one (CID 137433036) is 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC2(CC1)CNC2.
What is the InChIKey of 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one?
The InChIKey is ZNXLAGHALCBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)3-4-12(16)15-7-5-13(6-8-15)9-14-10-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one?
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one is sourced from PubChem (CID 137433036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).