ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate

C19H23NO5 — CID 6263226

IUPACethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H23NO5/c1-2-24-19(23)16-10-12-20(13-11-16)17(21)14-25-18(22)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3/b9-8+
InChIKeyNZXWEGBHHRCUQS-CMDGGOBGSA-N
MW345.39 g/mol
LogP2.04
Rot. Bonds6

About ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 6263226) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID6263226
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Nameethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H23NO5/c1-2-24-19(23)16-10-12-20(13-11-16)17(21)14-25-18(22)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3/b9-8+
InChIKeyNZXWEGBHHRCUQS-CMDGGOBGSA-N
XLogP2.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate (CID 6263226) is ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is NZXWEGBHHRCUQS-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H23NO5/c1-2-24-19(23)16-10-12-20(13-11-16)17(21)14-25-18(22)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3/b9-8+.
What are the key properties of ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 345.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 6263226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).