N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

C16H23F3N2O2 — CID 108933089

IUPACN-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESC/C(=C\C(=O)N1CCC(NC(=O)C(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C16H23F3N2O2/c1-11(12-4-2-3-5-12)10-14(22)21-8-6-13(7-9-21)20-15(23)16(17,18)19/h10,12-13H,2-9H2,1H3,(H,20,23)/b11-10+
InChIKeyZHQHFWPELKJIJM-ZHACJKMWSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds3

About N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 108933089) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID108933089
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESC/C(=C\C(=O)N1CCC(NC(=O)C(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C16H23F3N2O2/c1-11(12-4-2-3-5-12)10-14(22)21-8-6-13(7-9-21)20-15(23)16(17,18)19/h10,12-13H,2-9H2,1H3,(H,20,23)/b11-10+
InChIKeyZHQHFWPELKJIJM-ZHACJKMWSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 108933089) is N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is C/C(=C\C(=O)N1CCC(NC(=O)C(F)(F)F)CC1)C1CCCC1.
What is the InChIKey of N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ZHQHFWPELKJIJM-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(12-4-2-3-5-12)10-14(22)21-8-6-13(7-9-21)20-15(23)16(17,18)19/h10,12-13H,2-9H2,1H3,(H,20,23)/b11-10+.
What are the key properties of N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 332.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108933089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).