ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate

C15H19NO3S — CID 2326411

IUPACethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C15H19NO3S/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3/b6-5+
InChIKeyNGKBQZLYHVKNIU-AATRIKPKSA-N
MW293.39 g/mol
LogP2.56
Rot. Bonds4

About ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate

ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate (PubChem CID 2326411) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
PubChem CID2326411
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Nameethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C15H19NO3S/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3/b6-5+
InChIKeyNGKBQZLYHVKNIU-AATRIKPKSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate (CID 2326411) is ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate?
The InChIKey is NGKBQZLYHVKNIU-AATRIKPKSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3/b6-5+.
What are the key properties of ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate?
ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2326411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).