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

C26H32N4O2 — CID 43926800

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c(C)c1
InChIInChI=1S/C26H32N4O2/c1-17-9-10-22(19(3)15-17)20(4)27-26(31)21-11-13-30(14-12-21)16-24-28-25(29-32-24)23-8-6-5-7-18(23)2/h5-10,15,20-21H,11-14,16H2,1-4H3,(H,27,31)
InChIKeyMBYIVWYTMZUHJW-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.75
Rot. Bonds6

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

N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43926800) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43926800
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c(C)c1
InChIInChI=1S/C26H32N4O2/c1-17-9-10-22(19(3)15-17)20(4)27-26(31)21-11-13-30(14-12-21)16-24-28-25(29-32-24)23-8-6-5-7-18(23)2/h5-10,15,20-21H,11-14,16H2,1-4H3,(H,27,31)
InChIKeyMBYIVWYTMZUHJW-UHFFFAOYSA-N
XLogP4.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38139430
N-(1-methoxypropan-2-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926789
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 38137812
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926786
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 38138415
N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927818
N-butyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38132566
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 38116322
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935210
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43929009
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 38116446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43926800) is N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is MBYIVWYTMZUHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17-9-10-22(19(3)15-17)20(4)27-26(31)21-11-13-30(14-12-21)16-24-28-25(29-32-24)23-8-6-5-7-18(23)2/h5-10,15,20-21H,11-14,16H2,1-4H3,(H,27,31).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43926800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).