1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide

C26H30N4O5 — CID 38150522

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1
InChIInChI=1S/C26H30N4O5/c1-4-14-34-21-7-5-6-20(16-21)27-26(31)18-10-12-30(13-11-18)17-24-28-25(29-35-24)19-8-9-22(32-2)23(15-19)33-3/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,27,31)
InChIKeyPQEADKKCSHWSGL-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.17
Rot. Bonds10

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide (PubChem CID 38150522) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide
PubChem CID38150522
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1
InChIInChI=1S/C26H30N4O5/c1-4-14-34-21-7-5-6-20(16-21)27-26(31)18-10-12-30(13-11-18)17-24-28-25(29-35-24)19-8-9-22(32-2)23(15-19)33-3/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,27,31)
InChIKeyPQEADKKCSHWSGL-UHFFFAOYSA-N
XLogP4.17
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922837
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 20922834
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38140368
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43930487
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38142249
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 38150009
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943
N-[3-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616225

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide (CID 38150522) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide is C=CCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The InChIKey is PQEADKKCSHWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-4-14-34-21-7-5-6-20(16-21)27-26(31)18-10-12-30(13-11-18)17-24-28-25(29-35-24)19-8-9-22(32-2)23(15-19)33-3/h4-9,15-16,18H,1,10-14,17H2,2-3H3,(H,27,31).
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38150522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).