[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone

C28H31F3N4O3 — CID 174621539

IUPAC[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3cn(-c4cccc(OC(F)(F)F)c4)cn3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H31F3N4O3/c1-2-20-6-8-21(9-7-20)22-14-23(17-34(16-22)27(36)33-10-12-37-13-11-33)26-18-35(19-32-26)24-4-3-5-25(15-24)38-28(29,30)31/h3-9,15,18-19,22-23H,2,10-14,16-17H2,1H3
InChIKeyUQLBALHDDBTCPH-UHFFFAOYSA-N
MW528.58 g/mol
LogP5.36
Rot. Bonds5

About [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 174621539) has the molecular formula C28H31F3N4O3 and a molecular weight of 528.58 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID174621539
Molecular FormulaC28H31F3N4O3
Molecular Weight528.58 g/mol
Exact Mass528.23
IUPAC Name[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3cn(-c4cccc(OC(F)(F)F)c4)cn3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H31F3N4O3/c1-2-20-6-8-21(9-7-20)22-14-23(17-34(16-22)27(36)33-10-12-37-13-11-33)26-18-35(19-32-26)24-4-3-5-25(15-24)38-28(29,30)31/h3-9,15,18-19,22-23H,2,10-14,16-17H2,1H3
InChIKeyUQLBALHDDBTCPH-UHFFFAOYSA-N
XLogP5.36
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621556
[3-[5-(methoxymethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241481
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
1-[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 174606600
[3-[3-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241464
[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 175268505
[3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 175265929
[3-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002723
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
[3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002279
cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone
CID 174621459

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 174621539) is [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone is CCc1ccc(C2CC(c3cn(-c4cccc(OC(F)(F)F)c4)cn3)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is UQLBALHDDBTCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O3/c1-2-20-6-8-21(9-7-20)22-14-23(17-34(16-22)27(36)33-10-12-37-13-11-33)26-18-35(19-32-26)24-4-3-5-25(15-24)38-28(29,30)31/h3-9,15,18-19,22-23H,2,10-14,16-17H2,1H3.
What are the key properties of [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 528.58 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 174621539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).