N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C26H32N4O2 — CID 22432033

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cc2nnc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H32N4O2/c1-20-8-10-22(11-9-20)19-24-28-29-26(32-24)25(31)27-14-5-15-30-16-12-23(13-17-30)18-21-6-3-2-4-7-21/h2-4,6-11,23H,5,12-19H2,1H3,(H,27,31)
InChIKeyRZGCEUJETYCPFC-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.04
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22432033) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22432033
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cc2nnc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H32N4O2/c1-20-8-10-22(11-9-20)19-24-28-29-26(32-24)25(31)27-14-5-15-30-16-12-23(13-17-30)18-21-6-3-2-4-7-21/h2-4,6-11,23H,5,12-19H2,1H3,(H,27,31)
InChIKeyRZGCEUJETYCPFC-UHFFFAOYSA-N
XLogP4.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.04
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-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22432033) is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(Cc2nnc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)o2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RZGCEUJETYCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20-8-10-22(11-9-20)19-24-28-29-26(32-24)25(31)27-14-5-15-30-16-12-23(13-17-30)18-21-6-3-2-4-7-21/h2-4,6-11,23H,5,12-19H2,1H3,(H,27,31).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22432033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).