cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone

C14H20F3NO — CID 99831296

IUPACcyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CC=CC2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-13(2)9-18(8-7-11(13)14(15,16)17)12(19)10-5-3-4-6-10/h3-4,10-11H,5-9H2,1-2H3/t11-/m0/s1
InChIKeyDELLJWDVXGRYJV-NSHDSACASA-N
MW275.31 g/mol
LogP3.39
Rot. Bonds1

About cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone

cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 99831296) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID99831296
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Namecyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CC=CC2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-13(2)9-18(8-7-11(13)14(15,16)17)12(19)10-5-3-4-6-10/h3-4,10-11H,5-9H2,1-2H3/t11-/m0/s1
InChIKeyDELLJWDVXGRYJV-NSHDSACASA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.39
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 cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 99831296) is cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone is CC1(C)CN(C(=O)C2CC=CC2)CC[C@@H]1C(F)(F)F.
What is the InChIKey of cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is DELLJWDVXGRYJV-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2)9-18(8-7-11(13)14(15,16)17)12(19)10-5-3-4-6-10/h3-4,10-11H,5-9H2,1-2H3/t11-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(4S)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 99831296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).