1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide

C23H29FN6O2 — CID 91952024

IUPAC1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCCc1noc(-c2ccc(N3CCC(C(=O)NCCCn4ccnc4C)CC3)c(F)c2)n1
InChIInChI=1S/C23H29FN6O2/c1-3-21-27-23(32-28-21)18-5-6-20(19(24)15-18)30-12-7-17(8-13-30)22(31)26-9-4-11-29-14-10-25-16(29)2/h5-6,10,14-15,17H,3-4,7-9,11-13H2,1-2H3,(H,26,31)
InChIKeyWHKUFQXPTOAYOK-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.37
Rot. Bonds8

About 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide

1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 91952024) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide
PubChem CID91952024
Molecular FormulaC23H29FN6O2
Molecular Weight440.52 g/mol
Exact Mass440.23
IUPAC Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCCc1noc(-c2ccc(N3CCC(C(=O)NCCCn4ccnc4C)CC3)c(F)c2)n1
InChIInChI=1S/C23H29FN6O2/c1-3-21-27-23(32-28-21)18-5-6-20(19(24)15-18)30-12-7-17(8-13-30)22(31)26-9-4-11-29-14-10-25-16(29)2/h5-6,10,14-15,17H,3-4,7-9,11-13H2,1-2H3,(H,26,31)
InChIKeyWHKUFQXPTOAYOK-UHFFFAOYSA-N
XLogP3.37
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609443
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91951992
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 91951972
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609276
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135823
N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869315
(9S)-N-[3-(2-methylimidazol-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide (CID 91952024) is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide is CCc1noc(-c2ccc(N3CCC(C(=O)NCCCn4ccnc4C)CC3)c(F)c2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is WHKUFQXPTOAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-3-21-27-23(32-28-21)18-5-6-20(19(24)15-18)30-12-7-17(8-13-30)22(31)26-9-4-11-29-14-10-25-16(29)2/h5-6,10,14-15,17H,3-4,7-9,11-13H2,1-2H3,(H,26,31).
What are the key properties of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide?
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 91952024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).