N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide

C28H54N8O2 — CID 146332192

IUPACN-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CCN2CCN(C)C(C3CN(C4CCN(CC(=O)NC)CC4)CCN3C)C2)CC1
InChIInChI=1S/C28H54N8O2/c1-29-27(37)21-33-10-5-23(6-11-33)7-12-35-17-15-31(3)25(19-35)26-20-36(18-16-32(26)4)24-8-13-34(14-9-24)22-28(38)30-2/h23-26H,5-22H2,1-4H3,(H,29,37)(H,30,38)
InChIKeyLHCSDSMKCIGTII-UHFFFAOYSA-N
MW534.79 g/mol
LogP-0.72
Rot. Bonds9

About N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide

N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide (PubChem CID 146332192) has the molecular formula C28H54N8O2 and a molecular weight of 534.79 g/mol. Its IUPAC name is N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide
PubChem CID146332192
Molecular FormulaC28H54N8O2
Molecular Weight534.79 g/mol
Exact Mass534.44
IUPAC NameN-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CCN2CCN(C)C(C3CN(C4CCN(CC(=O)NC)CC4)CCN3C)C2)CC1
InChIInChI=1S/C28H54N8O2/c1-29-27(37)21-33-10-5-23(6-11-33)7-12-35-17-15-31(3)25(19-35)26-20-36(18-16-32(26)4)24-8-13-34(14-9-24)22-28(38)30-2/h23-26H,5-22H2,1-4H3,(H,29,37)(H,30,38)
InChIKeyLHCSDSMKCIGTII-UHFFFAOYSA-N
XLogP-0.72
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.79
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide (CID 146332192) is N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(CCN2CCN(C)C(C3CN(C4CCN(CC(=O)NC)CC4)CCN3C)C2)CC1.
What is the InChIKey of N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide?
The InChIKey is LHCSDSMKCIGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N8O2/c1-29-27(37)21-33-10-5-23(6-11-33)7-12-35-17-15-31(3)25(19-35)26-20-36(18-16-32(26)4)24-8-13-34(14-9-24)22-28(38)30-2/h23-26H,5-22H2,1-4H3,(H,29,37)(H,30,38).
What are the key properties of N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide has a molecular weight of 534.79 g/mol, XLogP of -0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-[4-methyl-3-[1-methyl-4-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazin-2-yl]piperazin-1-yl]ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 146332192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).