N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide

C14H19F3N2O2 — CID 128981274

IUPACN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESCC(=O)N1CC(NC(=O)C2CC=CC2)CCC1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(20)19-8-11(6-7-12(19)14(15,16)17)18-13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,21)
InChIKeyNPAWLJPYLMSSPO-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.01
Rot. Bonds2

About N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide

N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 128981274) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
PubChem CID128981274
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESCC(=O)N1CC(NC(=O)C2CC=CC2)CCC1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(20)19-8-11(6-7-12(19)14(15,16)17)18-13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,21)
InChIKeyNPAWLJPYLMSSPO-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide (CID 128981274) is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide is CC(=O)N1CC(NC(=O)C2CC=CC2)CCC1C(F)(F)F.
What is the InChIKey of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is NPAWLJPYLMSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(20)19-8-11(6-7-12(19)14(15,16)17)18-13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,21).
What are the key properties of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide?
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 128981274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).