1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide

C15H26N2O2 — CID 131965652

IUPAC1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide
SMILESC=CCC(CC)(CC)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H26N2O2/c1-4-9-15(5-2,6-3)14(19)17-10-7-12(8-11-17)13(16)18/h4,12H,1,5-11H2,2-3H3,(H2,16,18)
InChIKeySFLGKOFXXFYXRY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.09
Rot. Bonds6

About 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide

1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide (PubChem CID 131965652) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide
PubChem CID131965652
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide
SMILESC=CCC(CC)(CC)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H26N2O2/c1-4-9-15(5-2,6-3)14(19)17-10-7-12(8-11-17)13(16)18/h4,12H,1,5-11H2,2-3H3,(H2,16,18)
InChIKeySFLGKOFXXFYXRY-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide (CID 131965652) is 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide is C=CCC(CC)(CC)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide?
The InChIKey is SFLGKOFXXFYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-9-15(5-2,6-3)14(19)17-10-7-12(8-11-17)13(16)18/h4,12H,1,5-11H2,2-3H3,(H2,16,18).
What are the key properties of 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide?
1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethylpent-4-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 131965652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).