N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide

C25H24N4O2S — CID 53119628

IUPACN-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C25H24N4O2S/c30-24(26-20-13-15-29(16-14-20)17-18-7-3-1-4-8-18)22-12-11-21(32-22)23-27-25(31-28-23)19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,26,30)
InChIKeyOEUGJZXKQFRYEQ-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.86
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (PubChem CID 53119628) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
PubChem CID53119628
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C25H24N4O2S/c30-24(26-20-13-15-29(16-14-20)17-18-7-3-1-4-8-18)22-12-11-21(32-22)23-27-25(31-28-23)19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,26,30)
InChIKeyOEUGJZXKQFRYEQ-UHFFFAOYSA-N
XLogP4.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
N-(1-benzylpiperidin-4-yl)-5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 44534295
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;but-2-enedioic acid
CID 67703873
furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 46388410

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (CID 53119628) is N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The InChIKey is OEUGJZXKQFRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-24(26-20-13-15-29(16-14-20)17-18-7-3-1-4-8-18)22-12-11-21(32-22)23-27-25(31-28-23)19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,26,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53119628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).