tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate

C20H30N2O3 — CID 52775607

IUPACtert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-5-22(17-9-7-6-8-10-17)18(23)15-16-11-13-21(14-12-16)19(24)25-20(2,3)4/h6-10,16H,5,11-15H2,1-4H3
InChIKeyNYEQLZJLHCTTGI-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 52775607) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID52775607
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-5-22(17-9-7-6-8-10-17)18(23)15-16-11-13-21(14-12-16)19(24)25-20(2,3)4/h6-10,16H,5,11-15H2,1-4H3
InChIKeyNYEQLZJLHCTTGI-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[(4-chloro-N-propanoylanilino)methyl]piperidine-1-carboxylate
CID 68509585
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 59780681
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 91021061
tert-butyl 4-[2-[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrol-5-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 152830614
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate (CID 52775607) is tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate is CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is NYEQLZJLHCTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-22(17-9-7-6-8-10-17)18(23)15-16-11-13-21(14-12-16)19(24)25-20(2,3)4/h6-10,16H,5,11-15H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 52775607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).