N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C11H17F3N2O — CID 119303352

IUPACN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C11H17F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h2,9,15H,1,3-8H2
InChIKeySVXDSYGLXJJZTL-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.56
Rot. Bonds4

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

N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 119303352) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID119303352
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C11H17F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h2,9,15H,1,3-8H2
InChIKeySVXDSYGLXJJZTL-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.56
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
3,3-difluoro-N-(2-methylpropyl)piperidine-4-carboxamide
CID 121620279
1-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 124199639
1-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 124199665
1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138603770
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
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

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 119303352) is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is C=CCN(CC(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SVXDSYGLXJJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9/h2,9,15H,1,3-8H2.
What are the key properties of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119303352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).