methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate

C16H20Cl2N2O3 — CID 23500828

IUPACmethyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCN(C)CC1
InChIInChI=1S/C16H20Cl2N2O3/c1-20-8-6-16(7-9-20,15(22)23-2)19-14(21)10-11-12(17)4-3-5-13(11)18/h3-5H,6-10H2,1-2H3,(H,19,21)
InChIKeyWIQZXLGJPMNXPE-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.29
Rot. Bonds4

About methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate

methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate (PubChem CID 23500828) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
PubChem CID23500828
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Namemethyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCN(C)CC1
InChIInChI=1S/C16H20Cl2N2O3/c1-20-8-6-16(7-9-20,15(22)23-2)19-14(21)10-11-12(17)4-3-5-13(11)18/h3-5H,6-10H2,1-2H3,(H,19,21)
InChIKeyWIQZXLGJPMNXPE-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate with MolForge

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
3-[4-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-methoxycarbonylpiperidin-1-yl]propanoic acid
CID 54106927
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate
CID 166766513
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
methyl 1-[[2-[2-chloro-5-(4-chlorophenyl)phenyl]acetyl]amino]-4,4-dimethylcyclohexane-1-carboxylate
CID 67373341
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2,3-dichlorobenzamide
CID 61123543
methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate
CID 59614582
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate (CID 23500828) is methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate is COC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCN(C)CC1.
What is the InChIKey of methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The InChIKey is WIQZXLGJPMNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-20-8-6-16(7-9-20,15(22)23-2)19-14(21)10-11-12(17)4-3-5-13(11)18/h3-5H,6-10H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate has a molecular weight of 359.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 23500828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).