2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H38N4O2 — CID 170371805

IUPAC2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H38N4O2/c1-16(2)21-8-10-22(11-9-21)19(24)15-23-17(3)13-20(14-18(23)4)7-6-12-25-5/h16-18H,6-15H2,1-5H3
InChIKeyOQYOYJUXSCVPRG-UHFFFAOYSA-N
MW354.54 g/mol
LogP0.97
Rot. Bonds7

About 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 170371805) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID170371805
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H38N4O2/c1-16(2)21-8-10-22(11-9-21)19(24)15-23-17(3)13-20(14-18(23)4)7-6-12-25-5/h16-18H,6-15H2,1-5H3
InChIKeyOQYOYJUXSCVPRG-UHFFFAOYSA-N
XLogP0.97
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone 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-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 170371805) is 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is COCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OQYOYJUXSCVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-16(2)21-8-10-22(11-9-21)19(24)15-23-17(3)13-20(14-18(23)4)7-6-12-25-5/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 354.54 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).