2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

C12H23F3N4O — CID 62968259

IUPAC2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESCCCNC(CN1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H23F3N4O/c1-2-3-17-10(11(16)20)8-18-4-6-19(7-5-18)9-12(13,14)15/h10,17H,2-9H2,1H3,(H2,16,20)
InChIKeyPPAKYFQUZWMBGI-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.02
Rot. Bonds7

About 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (PubChem CID 62968259) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
PubChem CID62968259
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESCCCNC(CN1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H23F3N4O/c1-2-3-17-10(11(16)20)8-18-4-6-19(7-5-18)9-12(13,14)15/h10,17H,2-9H2,1H3,(H2,16,20)
InChIKeyPPAKYFQUZWMBGI-UHFFFAOYSA-N
XLogP0.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (CID 62968259) is 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is CCCNC(CN1CCN(CC(F)(F)F)CC1)C(N)=O.
What is the InChIKey of 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The InChIKey is PPAKYFQUZWMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-2-3-17-10(11(16)20)8-18-4-6-19(7-5-18)9-12(13,14)15/h10,17H,2-9H2,1H3,(H2,16,20).
What are the key properties of 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide has a molecular weight of 296.34 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 62968259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).