N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C11H15F3N2O2 — CID 71684083

IUPACN-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-2-5-15-9(17)8-3-6-16(7-4-8)10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,17)
InChIKeyOGBRYQMFARJABJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.09
Rot. Bonds3

About N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 71684083) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID71684083
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-2-5-15-9(17)8-3-6-16(7-4-8)10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,17)
InChIKeyOGBRYQMFARJABJ-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
CID 23034625
1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 100610907
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 60892543
1-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 124199665
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
1-acetyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49711960
1-butyryl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49721819
1-propionyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49721820
1-isobutyryl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49721821
1-(3-methylbutanoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49721823
1-(2-ethylbutanoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49721825
1-N-prop-2-enyl-4-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
CID 49723368

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 71684083) is N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is C=CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is OGBRYQMFARJABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-5-15-9(17)8-3-6-16(7-4-8)10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,17).
What are the key properties of N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 71684083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).