4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one

C14H19N3O — CID 79741089

IUPAC4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C1CCc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-9-14(18)16-6-7-17(9)13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8-9,13H,2,5-7,15H2,1H3,(H,16,18)
InChIKeyKTKUYWDJWBBUGN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.08
Rot. Bonds1

About 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one

4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one (PubChem CID 79741089) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
PubChem CID79741089
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C1CCc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-9-14(18)16-6-7-17(9)13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8-9,13H,2,5-7,15H2,1H3,(H,16,18)
InChIKeyKTKUYWDJWBBUGN-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-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-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one (CID 79741089) is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C1CCc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one?
The InChIKey is KTKUYWDJWBBUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-14(18)16-6-7-17(9)13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8-9,13H,2,5-7,15H2,1H3,(H,16,18).
What are the key properties of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one?
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 79741089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).