1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C20H26N4O4 — CID 53166965

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCC4CCCO4)CC3)o2)cc1
InChIInChI=1S/C20H26N4O4/c1-26-16-6-4-15(5-7-16)19-22-23-20(28-19)24-10-8-14(9-11-24)18(25)21-13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,25)
InChIKeyMFILJKNJWIGSIN-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.26
Rot. Bonds6

About 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53166965) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53166965
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCC4CCCO4)CC3)o2)cc1
InChIInChI=1S/C20H26N4O4/c1-26-16-6-4-15(5-7-16)19-22-23-20(28-19)24-10-8-14(9-11-24)18(25)21-13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,25)
InChIKeyMFILJKNJWIGSIN-UHFFFAOYSA-N
XLogP2.26
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 83275073
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53167001
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92877385
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166999
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95101565
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
N-(4-methoxyphenyl)-5-[4-(oxolan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330665
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 53166965) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCC4CCCO4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MFILJKNJWIGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-26-16-6-4-15(5-7-16)19-22-23-20(28-19)24-10-8-14(9-11-24)18(25)21-13-17-3-2-12-27-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,25).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53166965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).