methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate

C19H28N2O5 — CID 58427951

IUPACmethyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C19H28N2O5/c1-13-10-15(3)16(11-14(13)2)12-17(22)21(24)19(18(23)25-4)6-8-20(26-5)9-7-19/h10-11,24H,6-9,12H2,1-5H3
InChIKeyOVVMDWGLJIPWRC-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.94
Rot. Bonds5

About methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate

methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate (PubChem CID 58427951) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate
PubChem CID58427951
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate
SMILESCOC(=O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C19H28N2O5/c1-13-10-15(3)16(11-14(13)2)12-17(22)21(24)19(18(23)25-4)6-8-20(26-5)9-7-19/h10-11,24H,6-9,12H2,1-5H3
InChIKeyOVVMDWGLJIPWRC-UHFFFAOYSA-N
XLogP1.94
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.94
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-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate?
The IUPAC name of methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate (CID 58427951) is methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate is COC(=O)C1(N(O)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1.
What is the InChIKey of methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate?
The InChIKey is OVVMDWGLJIPWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13-10-15(3)16(11-14(13)2)12-17(22)21(24)19(18(23)25-4)6-8-20(26-5)9-7-19/h10-11,24H,6-9,12H2,1-5H3.
What are the key properties of methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate?
methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy-[2-(2,4,5-trimethylphenyl)acetyl]amino]-1-methoxypiperidine-4-carboxylate is sourced from PubChem (CID 58427951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).