1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C19H24F4N2O — CID 23190317

IUPAC1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCC(F)C1
InChIInChI=1S/C19H24F4N2O/c20-16-8-10-24(12-16)13-17-3-1-2-9-25(17)18(26)11-14-4-6-15(7-5-14)19(21,22)23/h4-7,16-17H,1-3,8-13H2
InChIKeyOQUOGZZLPZWJJA-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 23190317) has the molecular formula C19H24F4N2O and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID23190317
Molecular FormulaC19H24F4N2O
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCC(F)C1
InChIInChI=1S/C19H24F4N2O/c20-16-8-10-24(12-16)13-17-3-1-2-9-25(17)18(26)11-14-4-6-15(7-5-14)19(21,22)23/h4-7,16-17H,1-3,8-13H2
InChIKeyOQUOGZZLPZWJJA-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 23190317) is 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCC1CN1CCC(F)C1.
What is the InChIKey of 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is OQUOGZZLPZWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N2O/c20-16-8-10-24(12-16)13-17-3-1-2-9-25(17)18(26)11-14-4-6-15(7-5-14)19(21,22)23/h4-7,16-17H,1-3,8-13H2.
What are the key properties of 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 372.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluoropyrrolidin-1-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 23190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).