1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide

C11H15F3N2O2 — CID 8003265

IUPAC1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
SMILESC/C(=C/C(=O)C(F)(F)F)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H15F3N2O2/c1-7(6-9(17)11(12,13)14)16-4-2-8(3-5-16)10(15)18/h6,8H,2-5H2,1H3,(H2,15,18)/b7-6-
InChIKeyOIDMGYJWBYDNDZ-SREVYHEPSA-N
MW264.25 g/mol
LogP1.22
Rot. Bonds3

About 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide

1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide (PubChem CID 8003265) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
PubChem CID8003265
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
SMILESC/C(=C/C(=O)C(F)(F)F)N1CCC(C(N)=O)CC1
InChIInChI=1S/C11H15F3N2O2/c1-7(6-9(17)11(12,13)14)16-4-2-8(3-5-16)10(15)18/h6,8H,2-5H2,1H3,(H2,15,18)/b7-6-
InChIKeyOIDMGYJWBYDNDZ-SREVYHEPSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5,5-Trifluoro-4-oxopent-2-en-2-yl)piperidine-4-carboxamide
CID 72067070
1-[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 16254222
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969
(Z)-4-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]-6,7-dioxooct-4-enamide
CID 145578454
N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
CID 102736449
1-(3-Oxocyclopenten-1-yl)piperidine-4-carboxamide
CID 104787656
2-[1-(3-Oxocyclopenten-1-yl)piperidin-4-yl]acetamide
CID 104787809

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide (CID 8003265) is 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide is C/C(=C/C(=O)C(F)(F)F)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide?
The InChIKey is OIDMGYJWBYDNDZ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-7(6-9(17)11(12,13)14)16-4-2-8(3-5-16)10(15)18/h6,8H,2-5H2,1H3,(H2,15,18)/b7-6-.
What are the key properties of 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide?
1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 8003265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).