N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C23H26N4O3 — CID 38115537

IUPACN-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-2-29-20-10-6-9-19(15-20)24-23(28)18-11-13-27(14-12-18)16-21-25-22(26-30-21)17-7-4-3-5-8-17/h3-10,15,18H,2,11-14,16H2,1H3,(H,24,28)
InChIKeyFNISZAAIWRVVKY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.99
Rot. Bonds7

About N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 38115537) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID38115537
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-2-29-20-10-6-9-19(15-20)24-23(28)18-11-13-27(14-12-18)16-21-25-22(26-30-21)17-7-4-3-5-8-17/h3-10,15,18H,2,11-14,16H2,1H3,(H,24,28)
InChIKeyFNISZAAIWRVVKY-UHFFFAOYSA-N
XLogP3.99
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3159507
N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 645375
N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608
1-{[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenylpiperazine
CID 2215139
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 3225914
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3226073
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236100
N~2~-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N~2~-methyl-N~1~-[3-(trifluoromethyl)phenyl]glycinamide
CID 3238096
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217
1-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3241668
1-{3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3243472

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 38115537) is N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is CCOc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FNISZAAIWRVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-29-20-10-6-9-19(15-20)24-23(28)18-11-13-27(14-12-18)16-21-25-22(26-30-21)17-7-4-3-5-8-17/h3-10,15,18H,2,11-14,16H2,1H3,(H,24,28).
What are the key properties of N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38115537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).