(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone

C13H23N3O — CID 156836708

IUPAC(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone
SMILESCN1CCC2(CC(C(=O)N3CCNCC3)C2)C1
InChIInChI=1S/C13H23N3O/c1-15-5-2-13(10-15)8-11(9-13)12(17)16-6-3-14-4-7-16/h11,14H,2-10H2,1H3
InChIKeyMSUMLPZYIXVYDC-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.15
Rot. Bonds1

About (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone

(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone (PubChem CID 156836708) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone
PubChem CID156836708
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone
SMILESCN1CCC2(CC(C(=O)N3CCNCC3)C2)C1
InChIInChI=1S/C13H23N3O/c1-15-5-2-13(10-15)8-11(9-13)12(17)16-6-3-14-4-7-16/h11,14H,2-10H2,1H3
InChIKeyMSUMLPZYIXVYDC-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone (CID 156836708) is (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone is CN1CCC2(CC(C(=O)N3CCNCC3)C2)C1.
What is the InChIKey of (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone?
The InChIKey is MSUMLPZYIXVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-5-2-13(10-15)8-11(9-13)12(17)16-6-3-14-4-7-16/h11,14H,2-10H2,1H3.
What are the key properties of (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone?
(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone has a molecular weight of 237.35 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 156836708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).