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

C24H28N4O2 — CID 22431739

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H28N4O2/c29-22(24-27-26-23(30-24)21-10-5-2-6-11-21)25-14-7-15-28-16-12-20(13-17-28)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,25,29)
InChIKeyPKMKSSKRSUNPAE-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.81
Rot. Bonds8

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

N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431739) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431739
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H28N4O2/c29-22(24-27-26-23(30-24)21-10-5-2-6-11-21)25-14-7-15-28-16-12-20(13-17-28)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,25,29)
InChIKeyPKMKSSKRSUNPAE-UHFFFAOYSA-N
XLogP3.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.81
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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Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054817
N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 67703736
N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-methyl-3-prop-2-enylguanidine
CID 111759331
3-[4-(4-benzylpiperidin-1-yl)butylcarbamoyl-methylamino]propanoic acid
CID 122001518

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 22431739) is N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PKMKSSKRSUNPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-22(24-27-26-23(30-24)21-10-5-2-6-11-21)25-14-7-15-28-16-12-20(13-17-28)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,25,29).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.81, 8 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-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).