4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one

C13H25N3O — CID 63606845

IUPAC4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1CCCCCC1N
InChIInChI=1S/C13H25N3O/c1-13(2)12(17)15-8-9-16(13)11-7-5-3-4-6-10(11)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyKMZXOSNKUGDDLN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds1

About 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one

4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63606845) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one
PubChem CID63606845
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1CCCCCC1N
InChIInChI=1S/C13H25N3O/c1-13(2)12(17)15-8-9-16(13)11-7-5-3-4-6-10(11)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyKMZXOSNKUGDDLN-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one 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 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one (CID 63606845) is 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C1CCCCCC1N.
What is the InChIKey of 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is KMZXOSNKUGDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2)12(17)15-8-9-16(13)11-7-5-3-4-6-10(11)14/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one?
4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).