2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone

C13H20FNO — CID 129348527

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCC(CF)CC1
InChIInChI=1S/C13H20FNO/c14-10-12-5-7-15(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12H,2,4-10H2/t11-/m0/s1
InChIKeyFSCNRHPRYDYCDV-NSHDSACASA-N
MW225.31 g/mol
LogP2.55
Rot. Bonds3

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone (PubChem CID 129348527) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
PubChem CID129348527
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCC(CF)CC1
InChIInChI=1S/C13H20FNO/c14-10-12-5-7-15(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12H,2,4-10H2/t11-/m0/s1
InChIKeyFSCNRHPRYDYCDV-NSHDSACASA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone (CID 129348527) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone is O=C(C[C@H]1C=CCC1)N1CCC(CF)CC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is FSCNRHPRYDYCDV-NSHDSACASA-N. The full InChI is InChI=1S/C13H20FNO/c14-10-12-5-7-15(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12H,2,4-10H2/t11-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 225.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 129348527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).