methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate

C18H26N2O5 — CID 58428043

IUPACmethyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(N(O)C(=O)Cc2cc(C)ccc2C)CCN(OC)CC1
InChIInChI=1S/C18H26N2O5/c1-13-5-6-14(2)15(11-13)12-16(21)20(23)18(17(22)24-3)7-9-19(25-4)10-8-18/h5-6,11,23H,7-10,12H2,1-4H3
InChIKeyQUCJMRSDOHWZKJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.63
Rot. Bonds5

About methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate

methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate (PubChem CID 58428043) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate
PubChem CID58428043
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(N(O)C(=O)Cc2cc(C)ccc2C)CCN(OC)CC1
InChIInChI=1S/C18H26N2O5/c1-13-5-6-14(2)15(11-13)12-16(21)20(23)18(17(22)24-3)7-9-19(25-4)10-8-18/h5-6,11,23H,7-10,12H2,1-4H3
InChIKeyQUCJMRSDOHWZKJ-UHFFFAOYSA-N
XLogP1.63
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate?
The IUPAC name of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate (CID 58428043) is methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate is COC(=O)C1(N(O)C(=O)Cc2cc(C)ccc2C)CCN(OC)CC1.
What is the InChIKey of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate?
The InChIKey is QUCJMRSDOHWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13-5-6-14(2)15(11-13)12-16(21)20(23)18(17(22)24-3)7-9-19(25-4)10-8-18/h5-6,11,23H,7-10,12H2,1-4H3.
What are the key properties of methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate?
methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,5-dimethylphenyl)acetyl]-hydroxyamino]-1-methoxypiperidine-4-carboxylate is sourced from PubChem (CID 58428043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).