1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H27N5O3 — CID 55923208

IUPAC1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2)cc1
InChIInChI=1S/C23H27N5O3/c1-3-30-19-7-5-17(6-8-19)22-26-21(31-27-22)15-28-12-10-18(11-13-28)23(29)25-20-9-4-16(2)14-24-20/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,24,25,29)
InChIKeyPMLHFZBOFAMECY-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.69
Rot. Bonds7

About 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55923208) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55923208
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2)cc1
InChIInChI=1S/C23H27N5O3/c1-3-30-19-7-5-17(6-8-19)22-26-21(31-27-22)15-28-12-10-18(11-13-28)23(29)25-20-9-4-16(2)14-24-20/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,24,25,29)
InChIKeyPMLHFZBOFAMECY-UHFFFAOYSA-N
XLogP3.69
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 38157053
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38142249
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148418
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927514
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810082
methyl 4,5-dimethoxy-2-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38142313
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55923208) is 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is CCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2)cc1.
What is the InChIKey of 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PMLHFZBOFAMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-30-19-7-5-17(6-8-19)22-26-21(31-27-22)15-28-12-10-18(11-13-28)23(29)25-20-9-4-16(2)14-24-20/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,24,25,29).
What are the key properties of 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55923208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).