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

C25H29FN4O2 — CID 22520102

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C25H29FN4O2/c26-22-9-7-20(8-10-22)18-23-28-29-25(32-23)24(31)27-13-4-14-30-15-11-21(12-16-30)17-19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-18H2,(H,27,31)
InChIKeyXOSNNNQWOJVZFD-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.87
Rot. Bonds9

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

N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520102) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520102
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C25H29FN4O2/c26-22-9-7-20(8-10-22)18-23-28-29-25(32-23)24(31)27-13-4-14-30-15-11-21(12-16-30)17-19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-18H2,(H,27,31)
InChIKeyXOSNNNQWOJVZFD-UHFFFAOYSA-N
XLogP3.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.87
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-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22520102) is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XOSNNNQWOJVZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c26-22-9-7-20(8-10-22)18-23-28-29-25(32-23)24(31)27-13-4-14-30-15-11-21(12-16-30)17-19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-18H2,(H,27,31).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.87, 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-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).