(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine

C24H27N3O — CID 141128948

IUPAC(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine
SMILESCOc1cc(/C=C2\CCC(c3ccccc3)N(C)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H27N3O/c1-18-15-27(17-25-18)23-12-9-19(14-24(23)28-3)13-20-10-11-22(26(2)16-20)21-7-5-4-6-8-21/h4-9,12-15,17,22H,10-11,16H2,1-3H3/b20-13+
InChIKeyPFWPUZSCSRQNAS-DEDYPNTBSA-N
MW373.50 g/mol
LogP5.04
Rot. Bonds4

About (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine

(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine (PubChem CID 141128948) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine.

Molecular Properties

Compound Name(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine
PubChem CID141128948
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine
SMILESCOc1cc(/C=C2\CCC(c3ccccc3)N(C)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H27N3O/c1-18-15-27(17-25-18)23-12-9-19(14-24(23)28-3)13-20-10-11-22(26(2)16-20)21-7-5-4-6-8-21/h4-9,12-15,17,22H,10-11,16H2,1-3H3/b20-13+
InChIKeyPFWPUZSCSRQNAS-DEDYPNTBSA-N
XLogP5.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-6-phenylpiperidin-2-one
CID 66961525
(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 123814568
(3R)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-phenyl-3,4,5,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazepine
CID 123674061
methane;(10E)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-phenyl-3,4,5,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazepine
CID 160613344
(3Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-phenyl-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 70662709
1-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-3,5,5a,7,8,9-hexahydro-2H-pyrido[1,2-b]diazepin-4-one
CID 90788319
(4E,7aR)-11-(4-fluorophenyl)-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6,7,7a,8,9,10,11-octahydro-1H-pyrido[1,2-c][1,3]oxazonine
CID 143467364
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 58548909
8-benzylidene-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 76624821
4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine
CID 74395127
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(4-methoxyphenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 69072979
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839114

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine?
The IUPAC name of (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine (CID 141128948) is (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine.
What is the SMILES notation for (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine?
The canonical SMILES for (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine is COc1cc(/C=C2\CCC(c3ccccc3)N(C)C2)ccc1-n1cnc(C)c1.
What is the InChIKey of (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine?
The InChIKey is PFWPUZSCSRQNAS-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-15-27(17-25-18)23-12-9-19(14-24(23)28-3)13-20-10-11-22(26(2)16-20)21-7-5-4-6-8-21/h4-9,12-15,17,22H,10-11,16H2,1-3H3/b20-13+.
What are the key properties of (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine?
(5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine has a molecular weight of 373.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-2-phenylpiperidine is sourced from PubChem (CID 141128948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).