ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate

C24H30N2O5 — CID 54822989

IUPACethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ccc(OCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O5/c1-2-29-24(28)19-12-14-26(15-13-19)23(27)18-25-20-8-10-22(11-9-20)31-17-16-30-21-6-4-3-5-7-21/h3-11,19,25H,2,12-18H2,1H3
InChIKeySGDDJCUUOOQJPE-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.36
Rot. Bonds10

About ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate (PubChem CID 54822989) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
PubChem CID54822989
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nameethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ccc(OCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O5/c1-2-29-24(28)19-12-14-26(15-13-19)23(27)18-25-20-8-10-22(11-9-20)31-17-16-30-21-6-4-3-5-7-21/h3-11,19,25H,2,12-18H2,1H3
InChIKeySGDDJCUUOOQJPE-UHFFFAOYSA-N
XLogP3.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
ethyl 1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperidine-4-carboxylate
CID 54837905
ethyl 1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231062
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
CID 54823733
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
ethyl 1-[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155703
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate (CID 54822989) is ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2ccc(OCCOc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate?
The InChIKey is SGDDJCUUOOQJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-2-29-24(28)19-12-14-26(15-13-19)23(27)18-25-20-8-10-22(11-9-20)31-17-16-30-21-6-4-3-5-7-21/h3-11,19,25H,2,12-18H2,1H3.
What are the key properties of ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate has a molecular weight of 426.51 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).