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

C31H59N7O2 — CID 135174564

IUPACN-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCN2CCC(CN(C)C(=O)CN3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H59N7O2/c1-27-4-10-34(11-5-27)18-19-37-20-22-38(23-21-37)26-31(40)33(3)25-29-8-14-36(15-9-29)17-16-35-12-6-28(7-13-35)24-30(39)32-2/h27-29H,4-26H2,1-3H3,(H,32,39)
InChIKeyVGGTUODJKPGRBB-UHFFFAOYSA-N
MW561.86 g/mol
LogP1.35
Rot. Bonds12

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

N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide (PubChem CID 135174564) has the molecular formula C31H59N7O2 and a molecular weight of 561.86 g/mol. Its IUPAC name is N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
PubChem CID135174564
Molecular FormulaC31H59N7O2
Molecular Weight561.86 g/mol
Exact Mass561.47
IUPAC NameN-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(CCN2CCC(CN(C)C(=O)CN3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H59N7O2/c1-27-4-10-34(11-5-27)18-19-37-20-22-38(23-21-37)26-31(40)33(3)25-29-8-14-36(15-9-29)17-16-35-12-6-28(7-13-35)24-30(39)32-2/h27-29H,4-26H2,1-3H3,(H,32,39)
InChIKeyVGGTUODJKPGRBB-UHFFFAOYSA-N
XLogP1.35
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.86
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide 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 N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide (CID 135174564) is N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide is CNC(=O)CC1CCN(CCN2CCC(CN(C)C(=O)CN3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is VGGTUODJKPGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N7O2/c1-27-4-10-34(11-5-27)18-19-37-20-22-38(23-21-37)26-31(40)33(3)25-29-8-14-36(15-9-29)17-16-35-12-6-28(7-13-35)24-30(39)32-2/h27-29H,4-26H2,1-3H3,(H,32,39).
What are the key properties of N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide?
N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 561.86 g/mol, XLogP of 1.35, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 135174564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).