N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C26H32N4O4 — CID 43926786

IUPACN-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCC(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1
InChIInChI=1S/C26H32N4O4/c1-18-6-4-5-7-23(18)25-28-24(34-29-25)16-30-14-12-20(13-15-30)26(31)27-19(2)17-33-22-10-8-21(32-3)9-11-22/h4-11,19-20H,12-17H2,1-3H3,(H,27,31)
InChIKeyORHVAJIMTPTQLC-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.85
Rot. Bonds9

About N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43926786) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43926786
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCC(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1
InChIInChI=1S/C26H32N4O4/c1-18-6-4-5-7-23(18)25-28-24(34-29-25)16-30-14-12-20(13-15-30)26(31)27-19(2)17-33-22-10-8-21(32-3)9-11-22/h4-11,19-20H,12-17H2,1-3H3,(H,27,31)
InChIKeyORHVAJIMTPTQLC-UHFFFAOYSA-N
XLogP3.85
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methoxypropan-2-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926789
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927063
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927759
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38139430
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43928593
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43927564
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927514
N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926800
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43931125
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 38137812
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927565

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43926786) is N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(OCC(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ORHVAJIMTPTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18-6-4-5-7-23(18)25-28-24(34-29-25)16-30-14-12-20(13-15-30)26(31)27-19(2)17-33-22-10-8-21(32-3)9-11-22/h4-11,19-20H,12-17H2,1-3H3,(H,27,31).
What are the key properties of N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43926786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).