tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate

C20H30N2O4 — CID 126511699

IUPACtert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
SMILESCCOC(=O)CN(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-18(23)15-22(16-9-7-6-8-10-16)17-11-13-21(14-12-17)19(24)26-20(2,3)4/h6-10,17H,5,11-15H2,1-4H3
InChIKeyQNZYYHOWGQVEGL-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate

tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate (PubChem CID 126511699) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
PubChem CID126511699
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
SMILESCCOC(=O)CN(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-18(23)15-22(16-9-7-6-8-10-16)17-11-13-21(14-12-17)19(24)26-20(2,3)4/h6-10,17H,5,11-15H2,1-4H3
InChIKeyQNZYYHOWGQVEGL-UHFFFAOYSA-N
XLogP3.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
CID 126511695
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607
tert-butyl 4-[N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]piperidine-1-carboxylate
CID 10072557
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 68810453
4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid
CID 175199226
tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylate
CID 10024835
tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate
CID 100648914
tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 123747979
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate (CID 126511699) is tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate is CCOC(=O)CN(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate?
The InChIKey is QNZYYHOWGQVEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-25-18(23)15-22(16-9-7-6-8-10-16)17-11-13-21(14-12-17)19(24)26-20(2,3)4/h6-10,17H,5,11-15H2,1-4H3.
What are the key properties of tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate?
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate is sourced from PubChem (CID 126511699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).