N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C25H25N5O3 — CID 53032106

IUPACN-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H25N5O3/c1-16(31)27-20-8-6-17(7-9-20)24-28-25(33-29-24)18-10-12-30(13-11-18)23(32)14-19-15-26-22-5-3-2-4-21(19)22/h2-9,15,18,26H,10-14H2,1H3,(H,27,31)
InChIKeyGSNLLMVJVZUCEE-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.12
Rot. Bonds5

About N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53032106) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53032106
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H25N5O3/c1-16(31)27-20-8-6-17(7-9-20)24-28-25(33-29-24)18-10-12-30(13-11-18)23(32)14-19-15-26-22-5-3-2-4-21(19)22/h2-9,15,18,26H,10-14H2,1H3,(H,27,31)
InChIKeyGSNLLMVJVZUCEE-UHFFFAOYSA-N
XLogP4.12
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
N-[4-[5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032108
N-[4-[5-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53013369
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53001355
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
N-[4-[5-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130405
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53032106) is N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is GSNLLMVJVZUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16(31)27-20-8-6-17(7-9-20)24-28-25(33-29-24)18-10-12-30(13-11-18)23(32)14-19-15-26-22-5-3-2-4-21(19)22/h2-9,15,18,26H,10-14H2,1H3,(H,27,31).
What are the key properties of N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53032106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).