2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate

C18H24Cl2N2O4 — CID 108561064

IUPAC2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O4/c1-12(2)10-26-18(24)22-7-5-14(6-8-22)21-17(23)11-25-16-4-3-13(19)9-15(16)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyLIDXGXUFWWLVAB-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.75
Rot. Bonds6

About 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate

2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 108561064) has the molecular formula C18H24Cl2N2O4 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID108561064
Molecular FormulaC18H24Cl2N2O4
Molecular Weight403.31 g/mol
Exact Mass402.11
IUPAC Name2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O4/c1-12(2)10-26-18(24)22-7-5-14(6-8-22)21-17(23)11-25-16-4-3-13(19)9-15(16)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyLIDXGXUFWWLVAB-UHFFFAOYSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
ethyl 4-[[N'-[3-(2,4-dichlorophenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111085044
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
ethyl 4-[[N-[3-(2,4-dichlorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328158

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate (CID 108561064) is 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is LIDXGXUFWWLVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O4/c1-12(2)10-26-18(24)22-7-5-14(6-8-22)21-17(23)11-25-16-4-3-13(19)9-15(16)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 403.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).