[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate

C25H36N4O5 — CID 55472977

IUPAC[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCCC1
InChIInChI=1S/C25H36N4O5/c1-17-7-6-8-18(2)23(17)27-21(31)15-28-11-13-29(14-12-28)22(32)16-34-25(33)24(26-19(3)30)20-9-4-5-10-20/h6-8,20,24H,4-5,9-16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyASIASBSRZSUNRC-UHFFFAOYSA-N
MW472.59 g/mol
LogP1.62
Rot. Bonds8

About [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate

[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate (PubChem CID 55472977) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
PubChem CID55472977
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC Name[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCCC1
InChIInChI=1S/C25H36N4O5/c1-17-7-6-8-18(2)23(17)27-21(31)15-28-11-13-29(14-12-28)22(32)16-34-25(33)24(26-19(3)30)20-9-4-5-10-20/h6-8,20,24H,4-5,9-16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyASIASBSRZSUNRC-UHFFFAOYSA-N
XLogP1.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate with MolForge

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Related Compounds

[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55998825
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 55563253
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 55475347
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3-chlorobenzoate
CID 55476155
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate
CID 55472485
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55476509
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 35520827
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The IUPAC name of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate (CID 55472977) is [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate.
What is the SMILES notation for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The canonical SMILES for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate is CC(=O)NC(C(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCCC1.
What is the InChIKey of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The InChIKey is ASIASBSRZSUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-17-7-6-8-18(2)23(17)27-21(31)15-28-11-13-29(14-12-28)22(32)16-34-25(33)24(26-19(3)30)20-9-4-5-10-20/h6-8,20,24H,4-5,9-16H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate has a molecular weight of 472.59 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate is sourced from PubChem (CID 55472977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).