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

C24H28N4O4 — CID 46857739

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(OC)c1
InChIInChI=1S/C24H28N4O4/c1-30-20-9-8-19(21(14-20)31-2)15-25-24(29)18-10-12-28(13-11-18)16-22-26-23(27-32-22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,25,29)
InChIKeyFBTZBFCUTXBRKM-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.28
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 46857739) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID46857739
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(OC)c1
InChIInChI=1S/C24H28N4O4/c1-30-20-9-8-19(21(14-20)31-2)15-25-24(29)18-10-12-28(13-11-18)16-22-26-23(27-32-22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,25,29)
InChIKeyFBTZBFCUTXBRKM-UHFFFAOYSA-N
XLogP3.28
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115627
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 38148507
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46857738
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 38149414
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38142690
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38140791
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38144588

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 46857739) is N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FBTZBFCUTXBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-20-9-8-19(21(14-20)31-2)15-25-24(29)18-10-12-28(13-11-18)16-22-26-23(27-32-22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,25,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46857739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).