ethyl 1-dec-2-enoylpiperidine-4-carboxylate

C18H31NO3 — CID 123368081

IUPACethyl 1-dec-2-enoylpiperidine-4-carboxylate
SMILESCCCCCCCC=CC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-11-17(20)19-14-12-16(13-15-19)18(21)22-4-2/h10-11,16H,3-9,12-15H2,1-2H3
InChIKeyAPIXQQYDNPRRJI-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.70
Rot. Bonds9

About ethyl 1-dec-2-enoylpiperidine-4-carboxylate

ethyl 1-dec-2-enoylpiperidine-4-carboxylate (PubChem CID 123368081) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is ethyl 1-dec-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-dec-2-enoylpiperidine-4-carboxylate
PubChem CID123368081
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Nameethyl 1-dec-2-enoylpiperidine-4-carboxylate
SMILESCCCCCCCC=CC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-11-17(20)19-14-12-16(13-15-19)18(21)22-4-2/h10-11,16H,3-9,12-15H2,1-2H3
InChIKeyAPIXQQYDNPRRJI-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-dec-2-enoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-dec-2-enoylpiperidine-4-carboxylate (CID 123368081) is ethyl 1-dec-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-dec-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-dec-2-enoylpiperidine-4-carboxylate is CCCCCCCC=CC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-dec-2-enoylpiperidine-4-carboxylate?
The InChIKey is APIXQQYDNPRRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-11-17(20)19-14-12-16(13-15-19)18(21)22-4-2/h10-11,16H,3-9,12-15H2,1-2H3.
What are the key properties of ethyl 1-dec-2-enoylpiperidine-4-carboxylate?
ethyl 1-dec-2-enoylpiperidine-4-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-dec-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 123368081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).