1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C20H24F3N3O2 — CID 110399846

IUPAC1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)19(28)26-9-3-6-17(26)18(27)25-12-10-24(11-13-25)16-8-7-14-4-1-2-5-15(14)16/h1-2,4-5,16-17H,3,6-13H2
InChIKeyXLDMCKFZMUWZBU-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.37
Rot. Bonds2

About 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 110399846) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID110399846
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)19(28)26-9-3-6-17(26)18(27)25-12-10-24(11-13-25)16-8-7-14-4-1-2-5-15(14)16/h1-2,4-5,16-17H,3,6-13H2
InChIKeyXLDMCKFZMUWZBU-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 110399846) is 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone is O=C(C1CCCN1C(=O)C(F)(F)F)N1CCN(C2CCc3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is XLDMCKFZMUWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)19(28)26-9-3-6-17(26)18(27)25-12-10-24(11-13-25)16-8-7-14-4-1-2-5-15(14)16/h1-2,4-5,16-17H,3,6-13H2.
What are the key properties of 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 395.43 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 110399846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).