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

C18H26N2O3 — CID 54374261

IUPACmethyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCN(C)CC1
InChIInChI=1S/C18H26N2O3/c1-13-5-6-15(14(2)11-13)12-16(21)19-18(17(22)23-4)7-9-20(3)10-8-18/h5-6,11H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyUVJLLUCCHKPZAF-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.60
Rot. Bonds4

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

methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate (PubChem CID 54374261) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
PubChem CID54374261
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCN(C)CC1
InChIInChI=1S/C18H26N2O3/c1-13-5-6-15(14(2)11-13)12-16(21)19-18(17(22)23-4)7-9-20(3)10-8-18/h5-6,11H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyUVJLLUCCHKPZAF-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate (CID 54374261) is methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate is COC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCN(C)CC1.
What is the InChIKey of methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
The InChIKey is UVJLLUCCHKPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-5-6-15(14(2)11-13)12-16(21)19-18(17(22)23-4)7-9-20(3)10-8-18/h5-6,11H,7-10,12H2,1-4H3,(H,19,21).
What are the key properties of methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate?
methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 54374261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).