1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C23H22ClN5O2 — CID 53013371

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3c2)o1
InChIInChI=1S/C23H22ClN5O2/c1-16-25-26-23(31-16)18-3-2-17-8-9-29(21(17)14-18)15-22(30)28-12-10-27(11-13-28)20-6-4-19(24)5-7-20/h2-9,14H,10-13,15H2,1H3
InChIKeyVVERBJCXBRFSOC-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.00
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 53013371) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID53013371
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3c2)o1
InChIInChI=1S/C23H22ClN5O2/c1-16-25-26-23(31-16)18-3-2-17-8-9-29(21(17)14-18)15-22(30)28-12-10-27(11-13-28)20-6-4-19(24)5-7-20/h2-9,14H,10-13,15H2,1H3
InChIKeyVVERBJCXBRFSOC-UHFFFAOYSA-N
XLogP4.00
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032158
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032159
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
N-[(4-fluorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032202
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53032149
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159158457
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone
CID 142843319
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone
CID 25332183
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
CID 171146437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 53013371) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3c2)o1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is VVERBJCXBRFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-16-25-26-23(31-16)18-3-2-17-8-9-29(21(17)14-18)15-22(30)28-12-10-27(11-13-28)20-6-4-19(24)5-7-20/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 435.92 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 53013371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).