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

C31H58N6O2 — CID 135174558

IUPACN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCC(CCNC(=O)CN3CCC(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H58N6O2/c1-26-4-14-34(15-5-26)16-6-28-9-19-37(20-10-28)25-31(39)33-13-3-27-7-17-35(18-8-27)23-29-11-21-36(22-12-29)24-30(38)32-2/h26-29H,3-25H2,1-2H3,(H,32,38)(H,33,39)
InChIKeyYKYZYSHKJOVXMS-UHFFFAOYSA-N
MW546.85 g/mol
LogP2.50
Rot. Bonds12

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

N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 135174558) has the molecular formula C31H58N6O2 and a molecular weight of 546.85 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide
PubChem CID135174558
Molecular FormulaC31H58N6O2
Molecular Weight546.85 g/mol
Exact Mass546.46
IUPAC NameN-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN2CCC(CCNC(=O)CN3CCC(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H58N6O2/c1-26-4-14-34(15-5-26)16-6-28-9-19-37(20-10-28)25-31(39)33-13-3-27-7-17-35(18-8-27)23-29-11-21-36(22-12-29)24-30(38)32-2/h26-29H,3-25H2,1-2H3,(H,32,38)(H,33,39)
InChIKeyYKYZYSHKJOVXMS-UHFFFAOYSA-N
XLogP2.50
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-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-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide (CID 135174558) is N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(CN2CCC(CCNC(=O)CN3CCC(CCN4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is YKYZYSHKJOVXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N6O2/c1-26-4-14-34(15-5-26)16-6-28-9-19-37(20-10-28)25-31(39)33-13-3-27-7-17-35(18-8-27)23-29-11-21-36(22-12-29)24-30(38)32-2/h26-29H,3-25H2,1-2H3,(H,32,38)(H,33,39).
What are the key properties of N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 546.85 g/mol, XLogP of 2.50, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 135174558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).