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

C29H56N8O2 — CID 135279210

IUPACN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCN(CCNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C29H56N8O2/c1-30-28(38)24-35-12-6-27(7-13-35)23-37-21-19-34(20-22-37)14-8-31-29(39)25-36-10-4-26(5-11-36)3-9-33-17-15-32(2)16-18-33/h26-27H,3-25H2,1-2H3,(H,30,38)(H,31,39)
InChIKeyFBZMQUAMBDQXFO-UHFFFAOYSA-N
MW548.82 g/mol
LogP-0.47
Rot. Bonds12

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

N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 135279210) has the molecular formula C29H56N8O2 and a molecular weight of 548.82 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
PubChem CID135279210
Molecular FormulaC29H56N8O2
Molecular Weight548.82 g/mol
Exact Mass548.45
IUPAC NameN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCN(CCNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C29H56N8O2/c1-30-28(38)24-35-12-6-27(7-13-35)23-37-21-19-34(20-22-37)14-8-31-29(39)25-36-10-4-26(5-11-36)3-9-33-17-15-32(2)16-18-33/h26-27H,3-25H2,1-2H3,(H,30,38)(H,31,39)
InChIKeyFBZMQUAMBDQXFO-UHFFFAOYSA-N
XLogP-0.47
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.82
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
1-(4-Fluoropiperidin-1-yl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethane-1,2-dione
CID 155957076
2-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826296
4-[2-(1-azoniabicyclo[2.2.2]octan-1-yl)acetyl]-N-ethylpiperazine-1-carboxamide
CID 59734913
2-(4-ethylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
CID 68185941
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 70287167
2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
CID 88863296
2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione
CID 91473668
2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
CID 118052258
N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
CID 118052267
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
N-methyl-N-[[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]methyl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134583082

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide (CID 135279210) is N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(CN2CCN(CCNC(=O)CN3CCC(CCN4CCN(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is FBZMQUAMBDQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N8O2/c1-30-28(38)24-35-12-6-27(7-13-35)23-37-21-19-34(20-22-37)14-8-31-29(39)25-36-10-4-26(5-11-36)3-9-33-17-15-32(2)16-18-33/h26-27H,3-25H2,1-2H3,(H,30,38)(H,31,39).
What are the key properties of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 548.82 g/mol, XLogP of -0.47, 12 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-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 135279210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).