2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide

C17H34N6O2 — CID 164789036

IUPAC2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide
SMILESCN1CCN(CC(=O)NCCCNC(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N6O2/c1-20-6-10-22(11-7-20)14-16(24)18-4-3-5-19-17(25)15-23-12-8-21(2)9-13-23/h3-15H2,1-2H3,(H,18,24)(H,19,25)
InChIKeyDLSSZFOIVHWBSD-UHFFFAOYSA-N
MW354.50 g/mol
LogP-1.90
Rot. Bonds8

About 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide (PubChem CID 164789036) has the molecular formula C17H34N6O2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide
PubChem CID164789036
Molecular FormulaC17H34N6O2
Molecular Weight354.50 g/mol
Exact Mass354.27
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide
SMILESCN1CCN(CC(=O)NCCCNC(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N6O2/c1-20-6-10-22(11-7-20)14-16(24)18-4-3-5-19-17(25)15-23-12-8-21(2)9-13-23/h3-15H2,1-2H3,(H,18,24)(H,19,25)
InChIKeyDLSSZFOIVHWBSD-UHFFFAOYSA-N
XLogP-1.90
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide (CID 164789036) is 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide is CN1CCN(CC(=O)NCCCNC(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide?
The InChIKey is DLSSZFOIVHWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O2/c1-20-6-10-22(11-7-20)14-16(24)18-4-3-5-19-17(25)15-23-12-8-21(2)9-13-23/h3-15H2,1-2H3,(H,18,24)(H,19,25).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of -1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propyl]acetamide is sourced from PubChem (CID 164789036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).