2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide

C15H23F3N2O — CID 99823461

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-20-7-5-13(6-8-20)10-19-14(21)9-12-3-1-2-4-12/h1,3,12-13H,2,4-11H2,(H,19,21)/t12-/m0/s1
InChIKeyBAEXLHDKXIMAPU-LBPRGKRZSA-N
MW304.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 99823461) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide
PubChem CID99823461
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-20-7-5-13(6-8-20)10-19-14(21)9-12-3-1-2-4-12/h1,3,12-13H,2,4-11H2,(H,19,21)/t12-/m0/s1
InChIKeyBAEXLHDKXIMAPU-LBPRGKRZSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.73
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 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide (CID 99823461) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide is O=C(C[C@H]1C=CCC1)NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is BAEXLHDKXIMAPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23F3N2O/c16-15(17,18)11-20-7-5-13(6-8-20)10-19-14(21)9-12-3-1-2-4-12/h1,3,12-13H,2,4-11H2,(H,19,21)/t12-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 304.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 99823461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).