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

C32H60N6O2 — CID 134583082

IUPACN-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
SMILESCNC(=O)CN1CCC(CCN2CCC(CN(C)C(=O)CC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H60N6O2/c1-27-4-13-36(14-5-27)22-23-37-16-9-29(10-17-37)24-32(40)34(3)25-30-11-18-35(19-12-30)15-6-28-7-20-38(21-8-28)26-31(39)33-2/h27-30H,4-26H2,1-3H3,(H,33,39)
InChIKeyIXEROYHQWDDWPO-UHFFFAOYSA-N
MW560.87 g/mol
LogP2.84
Rot. Bonds12

About 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

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 (PubChem CID 134583082) has the molecular formula C32H60N6O2 and a molecular weight of 560.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID134583082
Molecular FormulaC32H60N6O2
Molecular Weight560.87 g/mol
Exact Mass560.48
IUPAC NameN-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
SMILESCNC(=O)CN1CCC(CCN2CCC(CN(C)C(=O)CC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H60N6O2/c1-27-4-13-36(14-5-27)22-23-37-16-9-29(10-17-37)24-32(40)34(3)25-30-11-18-35(19-12-30)15-6-28-7-20-38(21-8-28)26-31(39)33-2/h27-30H,4-26H2,1-3H3,(H,33,39)
InChIKeyIXEROYHQWDDWPO-UHFFFAOYSA-N
XLogP2.84
TPSA62.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)CN1CCC(CCN2CCC(CN(C)C(=O)CC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is IXEROYHQWDDWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N6O2/c1-27-4-13-36(14-5-27)22-23-37-16-9-29(10-17-37)24-32(40)34(3)25-30-11-18-35(19-12-30)15-6-28-7-20-38(21-8-28)26-31(39)33-2/h27-30H,4-26H2,1-3H3,(H,33,39).
What are the key properties of 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?
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 has a molecular weight of 560.87 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134583082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).