methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate

C20H30N2O6 — CID 108564110

IUPACmethyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)OC)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N2O6/c1-5-26-16-12-14(13-17(27-6-2)18(16)28-7-3)19(23)22-10-8-15(9-11-22)21-20(24)25-4/h12-13,15H,5-11H2,1-4H3,(H,21,24)
InChIKeyYJKCLXQCZYNZRE-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.84
Rot. Bonds8

About methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate

methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate (PubChem CID 108564110) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
PubChem CID108564110
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Namemethyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)OC)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N2O6/c1-5-26-16-12-14(13-17(27-6-2)18(16)28-7-3)19(23)22-10-8-15(9-11-22)21-20(24)25-4/h12-13,15H,5-11H2,1-4H3,(H,21,24)
InChIKeyYJKCLXQCZYNZRE-UHFFFAOYSA-N
XLogP2.84
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108564107
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108548679
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate (CID 108564110) is methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate is CCOc1cc(C(=O)N2CCC(NC(=O)OC)CC2)cc(OCC)c1OCC.
What is the InChIKey of methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate?
The InChIKey is YJKCLXQCZYNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-5-26-16-12-14(13-17(27-6-2)18(16)28-7-3)19(23)22-10-8-15(9-11-22)21-20(24)25-4/h12-13,15H,5-11H2,1-4H3,(H,21,24).
What are the key properties of methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate?
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate has a molecular weight of 394.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108564110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).