2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H20F3N3O2 — CID 43603381

IUPAC2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-19(10-3-5-17-6-4-10)12(21)8-18-7-1-2-11(18)20/h10,17H,1-9H2
InChIKeyLWAAFADERADUBM-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43603381) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43603381
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-19(10-3-5-17-6-4-10)12(21)8-18-7-1-2-11(18)20/h10,17H,1-9H2
InChIKeyLWAAFADERADUBM-UHFFFAOYSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 43603381) is 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C1CCCN1CC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LWAAFADERADUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)9-19(10-3-5-17-6-4-10)12(21)8-18-7-1-2-11(18)20/h10,17H,1-9H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).