ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate

C16H24N2O3 — CID 43758190

IUPACethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccc2OCC)CC1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-8-6-5-7-14(15)17-13-9-11-18(12-10-13)16(19)21-4-2/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyWCVCBEVTHYNYPV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate

ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate (PubChem CID 43758190) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
PubChem CID43758190
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccc2OCC)CC1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-8-6-5-7-14(15)17-13-9-11-18(12-10-13)16(19)21-4-2/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyWCVCBEVTHYNYPV-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
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ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
CID 69177022
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate (CID 43758190) is ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccccc2OCC)CC1.
What is the InChIKey of ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate?
The InChIKey is WCVCBEVTHYNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-8-6-5-7-14(15)17-13-9-11-18(12-10-13)16(19)21-4-2/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate?
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate is sourced from PubChem (CID 43758190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).