(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C13H22F3N3O — CID 126752722

IUPAC(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3N3O/c1-10(2)17-5-7-18(8-6-17)12(20)19-4-3-11(9-19)13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyFYFJCFVDZKHFSO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.02
Rot. Bonds1

About (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 126752722) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID126752722
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3N3O/c1-10(2)17-5-7-18(8-6-17)12(20)19-4-3-11(9-19)13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyFYFJCFVDZKHFSO-UHFFFAOYSA-N
XLogP2.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 126752722) is (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is CC(C)N1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FYFJCFVDZKHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-10(2)17-5-7-18(8-6-17)12(20)19-4-3-11(9-19)13(14,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).