3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C15H26F3N3O2 — CID 120813237

IUPAC3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCC1CCOCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)13(21-7-5-19-6-8-21)11-20-14(22)2-1-12-3-9-23-10-4-12/h12-13,19H,1-11H2,(H,20,22)
InChIKeyMIXAZOBQFWTZTN-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.15
Rot. Bonds6

About 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120813237) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120813237
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCC1CCOCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)13(21-7-5-19-6-8-21)11-20-14(22)2-1-12-3-9-23-10-4-12/h12-13,19H,1-11H2,(H,20,22)
InChIKeyMIXAZOBQFWTZTN-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120813237) is 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is O=C(CCC1CCOCC1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is MIXAZOBQFWTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c16-15(17,18)13(21-7-5-19-6-8-21)11-20-14(22)2-1-12-3-9-23-10-4-12/h12-13,19H,1-11H2,(H,20,22).
What are the key properties of 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 337.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120813237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).