N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide

C28H54N8O2 — CID 139475260

IUPACN-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCN(CNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N8O2/c1-29-27(37)22-33-11-6-26(7-12-33)21-35-17-19-36(20-18-35)24-30-28(38)23-34-9-4-25(5-10-34)3-8-32-15-13-31(2)14-16-32/h25-26H,3-24H2,1-2H3,(H,29,37)(H,30,38)
InChIKeySGYHUARRQTXHQB-UHFFFAOYSA-N
MW534.79 g/mol
LogP-0.51
Rot. Bonds11

About N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide

N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 139475260) has the molecular formula C28H54N8O2 and a molecular weight of 534.79 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
PubChem CID139475260
Molecular FormulaC28H54N8O2
Molecular Weight534.79 g/mol
Exact Mass534.44
IUPAC NameN-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCN(CNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N8O2/c1-29-27(37)22-33-11-6-26(7-12-33)21-35-17-19-36(20-18-35)24-30-28(38)23-34-9-4-25(5-10-34)3-8-32-15-13-31(2)14-16-32/h25-26H,3-24H2,1-2H3,(H,29,37)(H,30,38)
InChIKeySGYHUARRQTXHQB-UHFFFAOYSA-N
XLogP-0.51
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.79
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide (CID 139475260) is N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(CN2CCN(CNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is SGYHUARRQTXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N8O2/c1-29-27(37)22-33-11-6-26(7-12-33)21-35-17-19-36(20-18-35)24-30-28(38)23-34-9-4-25(5-10-34)3-8-32-15-13-31(2)14-16-32/h25-26H,3-24H2,1-2H3,(H,29,37)(H,30,38).
What are the key properties of N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 534.79 g/mol, XLogP of -0.51, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-[[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]methyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 139475260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).