cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone

C28H32FN3O — CID 174621459

IUPACcyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C2CC(c3cn(-c4ccc(F)cc4)cn3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C28H32FN3O/c1-2-20-7-9-21(10-8-20)23-15-24(17-31(16-23)28(33)22-5-3-4-6-22)27-18-32(19-30-27)26-13-11-25(29)12-14-26/h7-14,18-19,22-24H,2-6,15-17H2,1H3
InChIKeyQYMNIJQAEKWXJK-UHFFFAOYSA-N
MW445.58 g/mol
LogP5.86
Rot. Bonds5

About cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone

cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone (PubChem CID 174621459) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone
PubChem CID174621459
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Namecyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C2CC(c3cn(-c4ccc(F)cc4)cn3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C28H32FN3O/c1-2-20-7-9-21(10-8-20)23-15-24(17-31(16-23)28(33)22-5-3-4-6-22)27-18-32(19-30-27)26-13-11-25(29)12-14-26/h7-14,18-19,22-24H,2-6,15-17H2,1H3
InChIKeyQYMNIJQAEKWXJK-UHFFFAOYSA-N
XLogP5.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
methyl 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]piperidine-3-carboximidate
CID 143810858
[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
CID 66701395
[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621539
1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42865370
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 175268505
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
(5-bromo-2-pyridinyl) N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]carbamate
CID 66701321
(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896
1-[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 174606600
(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
CID 175246374

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone (CID 174621459) is cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone is CCc1ccc(C2CC(c3cn(-c4ccc(F)cc4)cn3)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is QYMNIJQAEKWXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O/c1-2-20-7-9-21(10-8-20)23-15-24(17-31(16-23)28(33)22-5-3-4-6-22)27-18-32(19-30-27)26-13-11-25(29)12-14-26/h7-14,18-19,22-24H,2-6,15-17H2,1H3.
What are the key properties of cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone?
cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 445.58 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 174621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).