N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C29H30N4O2 — CID 41479200

IUPACN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)o1
InChIInChI=1S/C29H30N4O2/c1-21-8-4-5-9-26(21)28-31-30-27(35-28)23-12-14-24(15-13-23)29(34)32(2)20-22-10-16-25(17-11-22)33-18-6-3-7-19-33/h4-5,8-17H,3,6-7,18-20H2,1-2H3
InChIKeyBFINIRKMHPILTK-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.97
Rot. Bonds6

About N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 41479200) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID41479200
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)o1
InChIInChI=1S/C29H30N4O2/c1-21-8-4-5-9-26(21)28-31-30-27(35-28)23-12-14-24(15-13-23)29(34)32(2)20-22-10-16-25(17-11-22)33-18-6-3-7-19-33/h4-5,8-17H,3,6-7,18-20H2,1-2H3
InChIKeyBFINIRKMHPILTK-UHFFFAOYSA-N
XLogP5.97
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 41479200) is N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)o1.
What is the InChIKey of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is BFINIRKMHPILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-21-8-4-5-9-26(21)28-31-30-27(35-28)23-12-14-24(15-13-23)29(34)32(2)20-22-10-16-25(17-11-22)33-18-6-3-7-19-33/h4-5,8-17H,3,6-7,18-20H2,1-2H3.
What are the key properties of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 41479200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).