ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate

C19H26N2O4 — CID 54838112

IUPACethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
SMILESC=CCOc1ccccc1NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C19H26N2O4/c1-3-13-25-17-8-6-5-7-16(17)20-18(22)14-21-11-9-15(10-12-21)19(23)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,22)
InChIKeyGRKNMZHICXZAFI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.46
Rot. Bonds8

About ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate

ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate (PubChem CID 54838112) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
PubChem CID54838112
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
SMILESC=CCOc1ccccc1NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C19H26N2O4/c1-3-13-25-17-8-6-5-7-16(17)20-18(22)14-21-11-9-15(10-12-21)19(23)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,22)
InChIKeyGRKNMZHICXZAFI-UHFFFAOYSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931532
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-butyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 87014819
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
ethyl 1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperidine-4-carboxylate
CID 54837905
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate (CID 54838112) is ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate is C=CCOc1ccccc1NC(=O)CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate?
The InChIKey is GRKNMZHICXZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-13-25-17-8-6-5-7-16(17)20-18(22)14-21-11-9-15(10-12-21)19(23)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,22).
What are the key properties of ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54838112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).