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

C28H55N9O2 — CID 135279213

IUPACN-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCN2CCN(N(C)C(=O)CN3CCN(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H55N9O2/c1-29-27(38)24-26-4-6-32(7-5-26)12-13-35-20-22-37(23-21-35)31(3)28(39)25-36-18-16-34(17-19-36)15-14-33-10-8-30(2)9-11-33/h26H,4-25H2,1-3H3,(H,29,38)
InChIKeyWLZDKVCLIGZNRE-UHFFFAOYSA-N
MW549.81 g/mol
LogP-1.31
Rot. Bonds11

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

N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide (PubChem CID 135279213) has the molecular formula C28H55N9O2 and a molecular weight of 549.81 g/mol. Its IUPAC name is N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide
PubChem CID135279213
Molecular FormulaC28H55N9O2
Molecular Weight549.81 g/mol
Exact Mass549.45
IUPAC NameN-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCN2CCN(N(C)C(=O)CN3CCN(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H55N9O2/c1-29-27(38)24-26-4-6-32(7-5-26)12-13-35-20-22-37(23-21-35)31(3)28(39)25-36-18-16-34(17-19-36)15-14-33-10-8-30(2)9-11-33/h26H,4-25H2,1-3H3,(H,29,38)
InChIKeyWLZDKVCLIGZNRE-UHFFFAOYSA-N
XLogP-1.31
TPSA72.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.81
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide (CID 135279213) is N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide is CNC(=O)CC1CCN(CCN2CCN(N(C)C(=O)CN3CCN(CCN4CCN(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is WLZDKVCLIGZNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N9O2/c1-29-27(38)24-26-4-6-32(7-5-26)12-13-35-20-22-37(23-21-35)31(3)28(39)25-36-18-16-34(17-19-36)15-14-33-10-8-30(2)9-11-33/h26H,4-25H2,1-3H3,(H,29,38).
What are the key properties of N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide?
N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 549.81 g/mol, XLogP of -1.31, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-[4-[methyl-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]piperazin-1-yl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 135279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).