6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone

C13H23N3O — CID 59395247

IUPAC6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC23CCNCC3)CC1
InChIInChI=1S/C13H23N3O/c1-15-6-8-16(9-7-15)12(17)11-10-13(11)2-4-14-5-3-13/h11,14H,2-10H2,1H3
InChIKeySBVHJGCDZAWZND-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.15
Rot. Bonds1

About 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone

6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 59395247) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID59395247
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC23CCNCC3)CC1
InChIInChI=1S/C13H23N3O/c1-15-6-8-16(9-7-15)12(17)11-10-13(11)2-4-14-5-3-13/h11,14H,2-10H2,1H3
InChIKeySBVHJGCDZAWZND-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

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone (CID 59395247) is 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CC23CCNCC3)CC1.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SBVHJGCDZAWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-6-8-16(9-7-15)12(17)11-10-13(11)2-4-14-5-3-13/h11,14H,2-10H2,1H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone?
6-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone 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-azaspiro[2.5]octan-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59395247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).