ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate

C18H23NO3 — CID 2162758

IUPACethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)/C(C)=C\c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)14(2)13-15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3/b14-13-
InChIKeyUVLAJCYETCYOFJ-YPKPFQOOSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds4

About ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate

ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate (PubChem CID 2162758) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate
PubChem CID2162758
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nameethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)/C(C)=C\c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)14(2)13-15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3/b14-13-
InChIKeyUVLAJCYETCYOFJ-YPKPFQOOSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate (CID 2162758) is ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)/C(C)=C\c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate?
The InChIKey is UVLAJCYETCYOFJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)14(2)13-15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3/b14-13-.
What are the key properties of ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate?
ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(Z)-2-methyl-3-phenylprop-2-enoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2162758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).