N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide

C14H19F3N2O2 — CID 84585373

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-4-5-12(20)18-10-11-6-8-19(9-7-11)13(21)14(15,16)17/h2-5,11H,6-10H2,1H3,(H,18,20)
InChIKeyPRDVSWBWZOGFTI-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.04
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide (PubChem CID 84585373) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
PubChem CID84585373
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-4-5-12(20)18-10-11-6-8-19(9-7-11)13(21)14(15,16)17/h2-5,11H,6-10H2,1H3,(H,18,20)
InChIKeyPRDVSWBWZOGFTI-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide (CID 84585373) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide?
The InChIKey is PRDVSWBWZOGFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-3-4-5-12(20)18-10-11-6-8-19(9-7-11)13(21)14(15,16)17/h2-5,11H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide has a molecular weight of 304.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 84585373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).