1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide

C21H30N4O3 — CID 38150116

IUPAC1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C21H30N4O3/c1-4-17(5-2)22-21(26)16-10-12-25(13-11-16)14-19-23-20(24-28-19)15-6-8-18(27-3)9-7-15/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,22,26)
InChIKeyOGWOZEQEPBQRFW-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.26
Rot. Bonds8

About 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 38150116) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID38150116
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C21H30N4O3/c1-4-17(5-2)22-21(26)16-10-12-25(13-11-16)14-19-23-20(24-28-19)15-6-8-18(27-3)9-7-15/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,22,26)
InChIKeyOGWOZEQEPBQRFW-UHFFFAOYSA-N
XLogP3.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148418
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927063
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926885
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38139430
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38149233
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide (CID 38150116) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is OGWOZEQEPBQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-17(5-2)22-21(26)16-10-12-25(13-11-16)14-19-23-20(24-28-19)15-6-8-18(27-3)9-7-15/h6-9,16-17H,4-5,10-14H2,1-3H3,(H,22,26).
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38150116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).