methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate

C23H36N2O4 — CID 21361395

IUPACmethyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate
SMILESCCC1(C)CC(NC(=O)C(=O)OC)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C23H36N2O4/c1-8-22(5)15-19(24-20(26)21(27)28-7)16(3)23(6,9-2)25(22)29-17(4)18-13-11-10-12-14-18/h10-14,16-17,19H,8-9,15H2,1-7H3,(H,24,26)
InChIKeyUFUWAAAANGZWIR-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.02
Rot. Bonds6

About methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate

methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate (PubChem CID 21361395) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate
PubChem CID21361395
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Namemethyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate
SMILESCCC1(C)CC(NC(=O)C(=O)OC)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C23H36N2O4/c1-8-22(5)15-19(24-20(26)21(27)28-7)16(3)23(6,9-2)25(22)29-17(4)18-13-11-10-12-14-18/h10-14,16-17,19H,8-9,15H2,1-7H3,(H,24,26)
InChIKeyUFUWAAAANGZWIR-UHFFFAOYSA-N
XLogP4.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

methyl (E)-4-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-4-oxobut-2-enoate
CID 21361400
6-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-6-oxohexanoic acid
CID 21361380
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol
CID 22341851
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
CID 22992818
2,6-diethyl-N-methoxy-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-imine
CID 73446136
N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
CID 162229309
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 69411966
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369
4,4-dicyclohexyloxy-2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidine
CID 58982350
4-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]imino-4-methoxybutanoic acid
CID 69413435
8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 59554000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate (CID 21361395) is methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate is CCC1(C)CC(NC(=O)C(=O)OC)C(C)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate?
The InChIKey is UFUWAAAANGZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-8-22(5)15-19(24-20(26)21(27)28-7)16(3)23(6,9-2)25(22)29-17(4)18-13-11-10-12-14-18/h10-14,16-17,19H,8-9,15H2,1-7H3,(H,24,26).
What are the key properties of methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate?
methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate has a molecular weight of 404.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-2-oxoacetate is sourced from PubChem (CID 21361395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).