1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide

C23H25FN4O2 — CID 58861860

IUPAC1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(c2nc(Cc3ccc(F)cc3)no2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-25-21(29)23(11-13-28(14-12-23)16-18-5-3-2-4-6-18)22-26-20(27-30-22)15-17-7-9-19(24)10-8-17/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyBQKQKWGFCKDZEI-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.08
Rot. Bonds6

About 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide

1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 58861860) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
PubChem CID58861860
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(c2nc(Cc3ccc(F)cc3)no2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-25-21(29)23(11-13-28(14-12-23)16-18-5-3-2-4-6-18)22-26-20(27-30-22)15-17-7-9-19(24)10-8-17/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyBQKQKWGFCKDZEI-UHFFFAOYSA-N
XLogP3.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
CID 90830849
1-[[4-[5-(4-benzylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4,4-dicarboxylic acid
CID 25123396
2-(1-acetylazetidin-3-yl)-N-[(1S)-3-[4-cyano-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-phenylpropyl]acetamide
CID 139993458
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61291590
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878
1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 75455668

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide (CID 58861860) is 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1(c2nc(Cc3ccc(F)cc3)no2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BQKQKWGFCKDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-25-21(29)23(11-13-28(14-12-23)16-18-5-3-2-4-6-18)22-26-20(27-30-22)15-17-7-9-19(24)10-8-17/h2-10H,11-16H2,1H3,(H,25,29).
What are the key properties of 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide?
1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58861860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).