1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate

C26H34N2O6 — CID 35214187

IUPAC1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C26H34N2O6/c1-26(2,3)34-25(31)28-12-10-19(11-13-28)24(30)33-17-23(29)27(4)16-18-6-7-21-15-22(32-5)9-8-20(21)14-18/h6-9,14-15,19H,10-13,16-17H2,1-5H3
InChIKeyIODBLOQTMHFJSU-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.00
Rot. Bonds6

About 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate (PubChem CID 35214187) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
PubChem CID35214187
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C26H34N2O6/c1-26(2,3)34-25(31)28-12-10-19(11-13-28)24(30)33-17-23(29)27(4)16-18-6-7-21-15-22(32-5)9-8-20(21)14-18/h6-9,14-15,19H,10-13,16-17H2,1-5H3
InChIKeyIODBLOQTMHFJSU-UHFFFAOYSA-N
XLogP4.00
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772894
ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772893
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907657
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498
tert-butyl 4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31189919
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
CID 8557880
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544301
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate (CID 35214187) is 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate is COc1ccc2cc(CN(C)C(=O)COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1.
What is the InChIKey of 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The InChIKey is IODBLOQTMHFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-26(2,3)34-25(31)28-12-10-19(11-13-28)24(30)33-17-23(29)27(4)16-18-6-7-21-15-22(32-5)9-8-20(21)14-18/h6-9,14-15,19H,10-13,16-17H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate has a molecular weight of 470.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate is sourced from PubChem (CID 35214187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).