methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate

C19H28N2O4 — CID 59614582

IUPACmethyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate
SMILESCCON1CCC(NC(=O)Cc2cc(C)ccc2C)(C(=O)OC)CC1
InChIInChI=1S/C19H28N2O4/c1-5-25-21-10-8-19(9-11-21,18(23)24-4)20-17(22)13-16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,22)
InChIKeyGGGJQLRTHJDICD-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate

methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate (PubChem CID 59614582) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate
PubChem CID59614582
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate
SMILESCCON1CCC(NC(=O)Cc2cc(C)ccc2C)(C(=O)OC)CC1
InChIInChI=1S/C19H28N2O4/c1-5-25-21-10-8-19(9-11-21,18(23)24-4)20-17(22)13-16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,22)
InChIKeyGGGJQLRTHJDICD-UHFFFAOYSA-N
XLogP1.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(5-bromo-2-methylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate
CID 86691808
methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
CID 54374261
methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate
CID 58428043
methyl 4-methyl-1-[[2-(2,4,5-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 11012978
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
methyl 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55979639
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
methyl 1-[[2-[5-(4-chloro-3-fluorophenyl)-2-methylphenyl]acetyl]amino]-4-methoxy-4-(methoxymethyl)cyclohexane-1-carboxylate
CID 90414740
methyl 1-[3-(2,5-dimethylphenoxy)propanoylamino]cycloheptane-1-carboxylate
CID 112814367
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate?
The IUPAC name of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate (CID 59614582) is methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate is CCON1CCC(NC(=O)Cc2cc(C)ccc2C)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate?
The InChIKey is GGGJQLRTHJDICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-25-21-10-8-19(9-11-21,18(23)24-4)20-17(22)13-16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,22).
What are the key properties of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate?
methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-ethoxypiperidine-4-carboxylate is sourced from PubChem (CID 59614582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).