2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide

C19H25F3N2O — CID 88962081

IUPAC2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
SMILESCN1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3
InChIKeyIUIYBVOCXNGXBW-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.67
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide

2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide (PubChem CID 88962081) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
PubChem CID88962081
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
SMILESCN1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1
InChIInChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3
InChIKeyIUIYBVOCXNGXBW-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide (CID 88962081) is 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide is CN1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is IUIYBVOCXNGXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-23-10-7-14(8-11-23)9-12-24(18(25)19(20,21)22)17-13-16(17)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide?
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 354.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 88962081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).