2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide

C13H22F3N3O — CID 91013997

IUPAC2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)C2)CC1
InChIInChI=1S/C13H22F3N3O/c1-17-6-3-10(4-7-17)19(12(20)13(14,15)16)11-5-8-18(2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyVNWSBRCAXMVNCA-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.18
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 91013997) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID91013997
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)C2)CC1
InChIInChI=1S/C13H22F3N3O/c1-17-6-3-10(4-7-17)19(12(20)13(14,15)16)11-5-8-18(2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyVNWSBRCAXMVNCA-UHFFFAOYSA-N
XLogP1.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide (CID 91013997) is 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)C2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is VNWSBRCAXMVNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-17-6-3-10(4-7-17)19(12(20)13(14,15)16)11-5-8-18(2)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 91013997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).