ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate

C19H28N2O4 — CID 54830182

IUPACethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-24-19(23)15-8-10-21(11-9-15)18(22)13-20-16-6-5-7-17(12-16)25-14(2)3/h5-7,12,14-15,20H,4,8-11,13H2,1-3H3
InChIKeyHJMMLJWMDPBOIM-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.69
Rot. Bonds7

About ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate (PubChem CID 54830182) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
PubChem CID54830182
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-24-19(23)15-8-10-21(11-9-15)18(22)13-20-16-6-5-7-17(12-16)25-14(2)3/h5-7,12,14-15,20H,4,8-11,13H2,1-3H3
InChIKeyHJMMLJWMDPBOIM-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate
CID 54836624
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
ethyl 1-[3-[5-oxo-3-(3-propan-2-yloxyphenyl)-4H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate
CID 135871879
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate (CID 54830182) is ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2cccc(OC(C)C)c2)CC1.
What is the InChIKey of ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is HJMMLJWMDPBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-24-19(23)15-8-10-21(11-9-15)18(22)13-20-16-6-5-7-17(12-16)25-14(2)3/h5-7,12,14-15,20H,4,8-11,13H2,1-3H3.
What are the key properties of ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54830182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).