(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H18F3N3O — CID 55227083

IUPAC(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCN1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C11H18F3N3O/c1-16-4-6-17(7-5-16)9(18)10(11(12,13)14)2-3-15-8-10/h15H,2-8H2,1H3
InChIKeyCVCXALPSXHIQSZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.30
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 55227083) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID55227083
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCN1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C11H18F3N3O/c1-16-4-6-17(7-5-16)9(18)10(11(12,13)14)2-3-15-8-10/h15H,2-8H2,1H3
InChIKeyCVCXALPSXHIQSZ-UHFFFAOYSA-N
XLogP0.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 55227083) is (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CN1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is CVCXALPSXHIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-16-4-6-17(7-5-16)9(18)10(11(12,13)14)2-3-15-8-10/h15H,2-8H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 265.28 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 55227083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).