N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide

C25H30N4O2 — CID 90681044

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCCCC4)c3)o2)cc1
InChIInChI=1S/C25H30N4O2/c1-19-11-13-20(14-12-19)24-27-28-25(31-24)21-8-7-9-22(18-21)26-23(30)10-3-6-17-29-15-4-2-5-16-29/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,26,30)
InChIKeyMQDTZOKCAHKWKS-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.31
Rot. Bonds8

About N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 90681044) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide
PubChem CID90681044
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCCCC4)c3)o2)cc1
InChIInChI=1S/C25H30N4O2/c1-19-11-13-20(14-12-19)24-27-28-25(31-24)21-8-7-9-22(18-21)26-23(30)10-3-6-17-29-15-4-2-5-16-29/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,26,30)
InChIKeyMQDTZOKCAHKWKS-UHFFFAOYSA-N
XLogP5.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide (CID 90681044) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCCCC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide?
The InChIKey is MQDTZOKCAHKWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-11-13-20(14-12-19)24-27-28-25(31-24)21-8-7-9-22(18-21)26-23(30)10-3-6-17-29-15-4-2-5-16-29/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,26,30).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 418.54 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 90681044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).