[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone

C13H26N4O — CID 62775488

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-12(2)11-15-7-9-17(10-8-15)13(18)16-5-3-14-4-6-16/h12,14H,3-11H2,1-2H3
InChIKeyNABYTHKKAIUWJQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.29
Rot. Bonds2

About [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone

[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone (PubChem CID 62775488) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
PubChem CID62775488
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-12(2)11-15-7-9-17(10-8-15)13(18)16-5-3-14-4-6-16/h12,14H,3-11H2,1-2H3
InChIKeyNABYTHKKAIUWJQ-UHFFFAOYSA-N
XLogP0.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-methylpropyl)piperazin-1-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

Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
methane;1-(2-methylpropyl)piperazine
CID 167537973
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 118367131
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone (CID 62775488) is [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone is CC(C)CN1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The InChIKey is NABYTHKKAIUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-12(2)11-15-7-9-17(10-8-15)13(18)16-5-3-14-4-6-16/h12,14H,3-11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone?
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 254.38 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 62775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).