N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide

C12H20F3N3O2 — CID 120813853

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9/h9-10,16H,1-8H2,(H,17,19)
InChIKeyQWBVJBBUPYBSAU-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.02
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide (PubChem CID 120813853) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide
PubChem CID120813853
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9/h9-10,16H,1-8H2,(H,17,19)
InChIKeyQWBVJBBUPYBSAU-UHFFFAOYSA-N
XLogP-0.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide (CID 120813853) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide?
The InChIKey is QWBVJBBUPYBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c13-12(14,15)10(18-4-2-16-3-5-18)7-17-11(19)9-1-6-20-8-9/h9-10,16H,1-8H2,(H,17,19).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 120813853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).