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

C23H26N4O3 — CID 95101565

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(17-6-4-3-5-7-17)24-21(28)18-12-14-27(15-13-18)23-26-25-22(30-23)19-8-10-20(29-2)11-9-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyOTKAHCSWLWIKFE-INIZCTEOSA-N
MW406.49 g/mol
LogP3.84
Rot. Bonds6

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

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 95101565) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID95101565
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(17-6-4-3-5-7-17)24-21(28)18-12-14-27(15-13-18)23-26-25-22(30-23)19-8-10-20(29-2)11-9-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyOTKAHCSWLWIKFE-INIZCTEOSA-N
XLogP3.84
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166945
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-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53166965
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92749350
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-(1,3-benzothiazol-2-yl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3222659
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 1303061
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166999
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 95101565) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is OTKAHCSWLWIKFE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(17-6-4-3-5-7-17)24-21(28)18-12-14-27(15-13-18)23-26-25-22(30-23)19-8-10-20(29-2)11-9-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,28)/t16-/m0/s1.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95101565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).