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

C31H58N6O2 — CID 134582812

IUPACN-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
SMILESCNC(=O)CN1CCC(CCN2CCC(N(C)C(=O)CC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H58N6O2/c1-26-4-13-35(14-5-26)22-23-36-16-9-28(10-17-36)24-31(39)33(3)29-11-20-34(21-12-29)15-6-27-7-18-37(19-8-27)25-30(38)32-2/h26-29H,4-25H2,1-3H3,(H,32,38)
InChIKeySAUADAIYBHTJNH-UHFFFAOYSA-N
MW546.85 g/mol
LogP2.59
Rot. Bonds11

About 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

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 (PubChem CID 134582812) has the molecular formula C31H58N6O2 and a molecular weight of 546.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID134582812
Molecular FormulaC31H58N6O2
Molecular Weight546.85 g/mol
Exact Mass546.46
IUPAC NameN-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
SMILESCNC(=O)CN1CCC(CCN2CCC(N(C)C(=O)CC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C31H58N6O2/c1-26-4-13-35(14-5-26)22-23-36-16-9-28(10-17-36)24-31(39)33(3)29-11-20-34(21-12-29)15-6-27-7-18-37(19-8-27)25-30(38)32-2/h26-29H,4-25H2,1-3H3,(H,32,38)
InChIKeySAUADAIYBHTJNH-UHFFFAOYSA-N
XLogP2.59
TPSA62.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.85
LogP ≤ 52.59
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]-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]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide (CID 134582812) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)CN1CCC(CCN2CCC(N(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]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is SAUADAIYBHTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N6O2/c1-26-4-13-35(14-5-26)22-23-36-16-9-28(10-17-36)24-31(39)33(3)29-11-20-34(21-12-29)15-6-27-7-18-37(19-8-27)25-30(38)32-2/h26-29H,4-25H2,1-3H3,(H,32,38).
What are the key properties of 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?
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 has a molecular weight of 546.85 g/mol, XLogP of 2.59, 11 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]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134582812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).