2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one

C12H22N4O2 — CID 56917265

IUPAC2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one
SMILESCC1CNC(=O)CCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-10-8-14-11(17)2-5-16(10)12(18)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyNNDBHBSBOZWFAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds2

About 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one

2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one (PubChem CID 56917265) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one
PubChem CID56917265
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one
SMILESCC1CNC(=O)CCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-10-8-14-11(17)2-5-16(10)12(18)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyNNDBHBSBOZWFAF-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-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 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one?
The IUPAC name of 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one (CID 56917265) is 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one.
What is the SMILES notation for 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one?
The canonical SMILES for 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one is CC1CNC(=O)CCN1C(=O)CN1CCNCC1.
What is the InChIKey of 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one?
The InChIKey is NNDBHBSBOZWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10-8-14-11(17)2-5-16(10)12(18)9-15-6-3-13-4-7-15/h10,13H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one?
2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one has a molecular weight of 254.33 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-piperazin-1-ylacetyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56917265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).