2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H26F3N3O — CID 63853272

IUPAC2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-3-6-18-11(2)12-4-7-20(8-5-12)9-13(21)19-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyQXHWACVPDLUEPG-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63853272) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63853272
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-3-6-18-11(2)12-4-7-20(8-5-12)9-13(21)19-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyQXHWACVPDLUEPG-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63853272) is 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QXHWACVPDLUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-3-6-18-11(2)12-4-7-20(8-5-12)9-13(21)19-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63853272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).