tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C26H43N3O5 — CID 55826258

IUPACtert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCOc1ccc(CCNC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1OC
InChIInChI=1S/C26H43N3O5/c1-19(2)29(25(31)34-26(3,4)5)17-21-9-8-14-28(16-21)18-24(30)27-13-12-20-10-11-22(32-6)23(15-20)33-7/h10-11,15,19,21H,8-9,12-14,16-18H2,1-7H3,(H,27,30)
InChIKeySVASJRKFROMAAO-UHFFFAOYSA-N
MW477.65 g/mol
LogP3.72
Rot. Bonds10

About tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55826258) has the molecular formula C26H43N3O5 and a molecular weight of 477.65 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55826258
Molecular FormulaC26H43N3O5
Molecular Weight477.65 g/mol
Exact Mass477.32
IUPAC Nametert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCOc1ccc(CCNC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1OC
InChIInChI=1S/C26H43N3O5/c1-19(2)29(25(31)34-26(3,4)5)17-21-9-8-14-28(16-21)18-24(30)27-13-12-20-10-11-22(32-6)23(15-20)33-7/h10-11,15,19,21H,8-9,12-14,16-18H2,1-7H3,(H,27,30)
InChIKeySVASJRKFROMAAO-UHFFFAOYSA-N
XLogP3.72
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60565340
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 47006373
tert-butyl N-[[1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826127
2-(4-aminopiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119908061
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
tert-butyl N-[[1-(4-bromo-3,5-dimethoxybenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825835
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909301
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111084259
tert-butyl 3-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111213406
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 60502651
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55826258) is tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is COc1ccc(CCNC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1OC.
What is the InChIKey of tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is SVASJRKFROMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O5/c1-19(2)29(25(31)34-26(3,4)5)17-21-9-8-14-28(16-21)18-24(30)27-13-12-20-10-11-22(32-6)23(15-20)33-7/h10-11,15,19,21H,8-9,12-14,16-18H2,1-7H3,(H,27,30).
What are the key properties of tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 477.65 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55826258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).