N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C19H30F3N3O2 — CID 166391649

IUPACN-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)=CCCC(=O)NC/C=C\CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C19H30F3N3O2/c1-15(2)7-5-9-17(26)23-10-3-4-11-24-18(27)16-8-6-12-25(13-16)14-19(20,21)22/h3-4,7,16H,5-6,8-14H2,1-2H3,(H,23,26)(H,24,27)/b4-3-
InChIKeySLSZTGJOLJHYGE-ARJAWSKDSA-N
MW389.46 g/mol
LogP2.80
Rot. Bonds9

About N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 166391649) has the molecular formula C19H30F3N3O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID166391649
Molecular FormulaC19H30F3N3O2
Molecular Weight389.46 g/mol
Exact Mass389.23
IUPAC NameN-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)=CCCC(=O)NC/C=C\CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C19H30F3N3O2/c1-15(2)7-5-9-17(26)23-10-3-4-11-24-18(27)16-8-6-12-25(13-16)14-19(20,21)22/h3-4,7,16H,5-6,8-14H2,1-2H3,(H,23,26)(H,24,27)/b4-3-
InChIKeySLSZTGJOLJHYGE-ARJAWSKDSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

Cambridge id 5424833
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CID 89131516
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CID 153400172
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CID 176947516
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
CID 51080879
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 166391649) is N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(C)=CCCC(=O)NC/C=C\CNC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is SLSZTGJOLJHYGE-ARJAWSKDSA-N. The full InChI is InChI=1S/C19H30F3N3O2/c1-15(2)7-5-9-17(26)23-10-3-4-11-24-18(27)16-8-6-12-25(13-16)14-19(20,21)22/h3-4,7,16H,5-6,8-14H2,1-2H3,(H,23,26)(H,24,27)/b4-3-.
What are the key properties of N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 166391649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).