4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide

C19H26F3N3O2 — CID 120813691

IUPAC4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)16(25-10-8-23-9-11-25)14-24-17(26)18(6-12-27-13-7-18)15-4-2-1-3-5-15/h1-5,16,23H,6-14H2,(H,24,26)
InChIKeyZTPWUDNBAIKGEB-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.69
Rot. Bonds5

About 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide

4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide (PubChem CID 120813691) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
PubChem CID120813691
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)16(25-10-8-23-9-11-25)14-24-17(26)18(6-12-27-13-7-18)15-4-2-1-3-5-15/h1-5,16,23H,6-14H2,(H,24,26)
InChIKeyZTPWUDNBAIKGEB-UHFFFAOYSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812569
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
5-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120811231
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
CID 94823320
2-phenylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813428
4-hydroxy-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide;hydrochloride
CID 120813824
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120812658
2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide (CID 120813691) is 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is ZTPWUDNBAIKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c20-19(21,22)16(25-10-8-23-9-11-25)14-24-17(26)18(6-12-27-13-7-18)15-4-2-1-3-5-15/h1-5,16,23H,6-14H2,(H,24,26).
What are the key properties of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide?
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 120813691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).