N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide

C27H27F6N3O2 — CID 87889635

IUPACN-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
SMILESO=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C27H27F6N3O2/c28-26(29,30)22-10-8-20(9-11-22)24-21(17-34-38-24)7-4-14-36(25(37)27(31,32)33)23-12-15-35(16-13-23)18-19-5-2-1-3-6-19/h1-3,5-6,8-11,17,23H,4,7,12-16,18H2
InChIKeyWVTHTDJHLWVASM-UHFFFAOYSA-N
MW539.52 g/mol
LogP6.35
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide

N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide (PubChem CID 87889635) has the molecular formula C27H27F6N3O2 and a molecular weight of 539.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
PubChem CID87889635
Molecular FormulaC27H27F6N3O2
Molecular Weight539.52 g/mol
Exact Mass539.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
SMILESO=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C27H27F6N3O2/c28-26(29,30)22-10-8-20(9-11-22)24-21(17-34-38-24)7-4-14-36(25(37)27(31,32)33)23-12-15-35(16-13-23)18-19-5-2-1-3-6-19/h1-3,5-6,8-11,17,23H,4,7,12-16,18H2
InChIKeyWVTHTDJHLWVASM-UHFFFAOYSA-N
XLogP6.35
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzylpiperazin-1-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 22221461
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
1-(1-benzylpiperidin-4-yl)-1-[(4-tert-butylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42704267
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[(1-benzylpiperidin-4-yl)methyl]-2,2,2-trifluoro-N-[2-(4-iodophenyl)cyclopropyl]acetamide
CID 88962063
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
CID 171998605

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide (CID 87889635) is N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide is O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The InChIKey is WVTHTDJHLWVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F6N3O2/c28-26(29,30)22-10-8-20(9-11-22)24-21(17-34-38-24)7-4-14-36(25(37)27(31,32)33)23-12-15-35(16-13-23)18-19-5-2-1-3-6-19/h1-3,5-6,8-11,17,23H,4,7,12-16,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide has a molecular weight of 539.52 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoro-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide is sourced from PubChem (CID 87889635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).