1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide

C27H34N4O4 — CID 20922872

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1C
InChIInChI=1S/C27H34N4O4/c1-5-14-31(22-9-7-6-8-19(22)2)27(32)20-12-15-30(16-13-20)18-25-28-26(29-35-25)21-10-11-23(33-3)24(17-21)34-4/h6-11,17,20H,5,12-16,18H2,1-4H3
InChIKeyBJTYZZYVUYBVFV-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.72
Rot. Bonds9

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide (PubChem CID 20922872) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide
PubChem CID20922872
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1C
InChIInChI=1S/C27H34N4O4/c1-5-14-31(22-9-7-6-8-19(22)2)27(32)20-12-15-30(16-13-20)18-25-28-26(29-35-25)21-10-11-23(33-3)24(17-21)34-4/h6-11,17,20H,5,12-16,18H2,1-4H3
InChIKeyBJTYZZYVUYBVFV-UHFFFAOYSA-N
XLogP4.72
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 38150730
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 20922868
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
ethyl 4-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 40975774
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143493
N-[3-(diethylamino)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922847
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 38150583
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
N-(3,4-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922837

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide (CID 20922872) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1C.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is BJTYZZYVUYBVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-5-14-31(22-9-7-6-8-19(22)2)27(32)20-12-15-30(16-13-20)18-25-28-26(29-35-25)21-10-11-23(33-3)24(17-21)34-4/h6-11,17,20H,5,12-16,18H2,1-4H3.
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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-(2-methylphenyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 20922872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).