ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate

C26H46N2O6 — CID 66591873

IUPACethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCCCC2COC)CC1
InChIInChI=1S/C26H46N2O6/c1-6-32-23(29)20-12-14-22(15-13-20)33-26(27-16-9-10-17-27,24(30)34-25(2,3)4)28-18-8-7-11-21(28)19-31-5/h20-22H,6-19H2,1-5H3
InChIKeyMYECGINCZNHTIQ-UHFFFAOYSA-N
MW482.66 g/mol
LogP3.72
Rot. Bonds9

About ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate

ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate (PubChem CID 66591873) has the molecular formula C26H46N2O6 and a molecular weight of 482.66 g/mol. Its IUPAC name is ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
PubChem CID66591873
Molecular FormulaC26H46N2O6
Molecular Weight482.66 g/mol
Exact Mass482.34
IUPAC Nameethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCCCC2COC)CC1
InChIInChI=1S/C26H46N2O6/c1-6-32-23(29)20-12-14-22(15-13-20)33-26(27-16-9-10-17-27,24(30)34-25(2,3)4)28-18-8-7-11-21(28)19-31-5/h20-22H,6-19H2,1-5H3
InChIKeyMYECGINCZNHTIQ-UHFFFAOYSA-N
XLogP3.72
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.66
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
CID 66591917
ethyl 4-[1-[(3S,5S)-4-(2-fluoroethyl)-3,5-dimethylpiperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
CID 87064132
ethyl 4-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethoxy]cyclohexane-1-carboxylate
CID 66592323
ethyl 4-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethoxy]cyclohexane-1-carboxylate;dihydrochloride
CID 66592322
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl (2S,5R)-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778846
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
tert-butyl 4-[(1S,3R)-3-ethoxycarbonylcyclohexyl]-4-hydroxypiperidine-1-carboxylate
CID 129387396
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 86313536

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate (CID 66591873) is ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCCCC2COC)CC1.
What is the InChIKey of ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The InChIKey is MYECGINCZNHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O6/c1-6-32-23(29)20-12-14-22(15-13-20)33-26(27-16-9-10-17-27,24(30)34-25(2,3)4)28-18-8-7-11-21(28)19-31-5/h20-22H,6-19H2,1-5H3.
What are the key properties of ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate has a molecular weight of 482.66 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[2-(methoxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 66591873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).