ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

C24H34N2O4 — CID 45232755

IUPACethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(C/C=C/c2ccccc2)CCCN(C(=O)CCN2CCCCO2)C1
InChIInChI=1S/C24H34N2O4/c1-2-29-23(28)24(14-8-12-21-10-4-3-5-11-21)15-9-16-25(20-24)22(27)13-18-26-17-6-7-19-30-26/h3-5,8,10-12H,2,6-7,9,13-20H2,1H3/b12-8+
InChIKeyMINQBZIVXXDZCC-XYOKQWHBSA-N
MW414.55 g/mol
LogP3.68
Rot. Bonds8

About ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate (PubChem CID 45232755) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
PubChem CID45232755
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Nameethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(C/C=C/c2ccccc2)CCCN(C(=O)CCN2CCCCO2)C1
InChIInChI=1S/C24H34N2O4/c1-2-29-23(28)24(14-8-12-21-10-4-3-5-11-21)15-9-16-25(20-24)22(27)13-18-26-17-6-7-19-30-26/h3-5,8,10-12H,2,6-7,9,13-20H2,1H3/b12-8+
InChIKeyMINQBZIVXXDZCC-XYOKQWHBSA-N
XLogP3.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42245389
ethyl (3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 42526806
ethyl (3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25365150
ethyl 1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 45230194
ethyl (3R)-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25385004
ethyl (3S)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25446678
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CID 25453067
ethyl (3S)-1-(5-methyl-1H-pyrazole-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25282717
ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 42392106
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
ethyl (3R)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25450865
ethyl (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25450867

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate (CID 45232755) is ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate is CCOC(=O)C1(C/C=C/c2ccccc2)CCCN(C(=O)CCN2CCCCO2)C1.
What is the InChIKey of ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?
The InChIKey is MINQBZIVXXDZCC-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-2-29-23(28)24(14-8-12-21-10-4-3-5-11-21)15-9-16-25(20-24)22(27)13-18-26-17-6-7-19-30-26/h3-5,8,10-12H,2,6-7,9,13-20H2,1H3/b12-8+.
What are the key properties of ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?
ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate is sourced from PubChem (CID 45232755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).