tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C25H39N3O5 — CID 55825250

IUPACtert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C25H39N3O5/c1-7-32-21-13-9-8-12-20(21)23(30)26-15-22(29)27-14-10-11-19(16-27)17-28(18(2)3)24(31)33-25(4,5)6/h8-9,12-13,18-19H,7,10-11,14-17H2,1-6H3,(H,26,30)
InChIKeyJPMHSGWRCDENLN-UHFFFAOYSA-N
MW461.60 g/mol
LogP3.70
Rot. Bonds8

About tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55825250) has the molecular formula C25H39N3O5 and a molecular weight of 461.60 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55825250
Molecular FormulaC25H39N3O5
Molecular Weight461.60 g/mol
Exact Mass461.29
IUPAC Nametert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C25H39N3O5/c1-7-32-21-13-9-8-12-20(21)23(30)26-15-22(29)27-14-10-11-19(16-27)17-28(18(2)3)24(31)33-25(4,5)6/h8-9,12-13,18-19H,7,10-11,14-17H2,1-6H3,(H,26,30)
InChIKeyJPMHSGWRCDENLN-UHFFFAOYSA-N
XLogP3.70
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[2-[(3-bromobenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55821411
3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 120536602
tert-butyl N-[[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55822568
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807864
tert-butyl N-[[1-(4-bromo-3,5-dimethoxybenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825835
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826224
tert-butyl N-[[(3S)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963405
tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55825250) is tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CCOc1ccccc1C(=O)NCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is JPMHSGWRCDENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O5/c1-7-32-21-13-9-8-12-20(21)23(30)26-15-22(29)27-14-10-11-19(16-27)17-28(18(2)3)24(31)33-25(4,5)6/h8-9,12-13,18-19H,7,10-11,14-17H2,1-6H3,(H,26,30).
What are the key properties of tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 461.60 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55825250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).