1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C21H22ClN3O — CID 113076853

IUPAC1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O/c1-15-6-7-17(13-19(15)22)24-8-10-25(11-9-24)21(26)12-16-14-23-20-5-3-2-4-18(16)20/h2-7,13-14,23H,8-12H2,1H3
InChIKeyWASZRALWUHYOOO-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.02
Rot. Bonds3

About 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 113076853) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID113076853
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O/c1-15-6-7-17(13-19(15)22)24-8-10-25(11-9-24)21(26)12-16-14-23-20-5-3-2-4-18(16)20/h2-7,13-14,23H,8-12H2,1H3
InChIKeyWASZRALWUHYOOO-UHFFFAOYSA-N
XLogP4.02
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]benzonitrile
CID 133297628
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810437
3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898563
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 113076853) is 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is Cc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is WASZRALWUHYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-15-6-7-17(13-19(15)22)24-8-10-25(11-9-24)21(26)12-16-14-23-20-5-3-2-4-18(16)20/h2-7,13-14,23H,8-12H2,1H3.
What are the key properties of 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 367.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 113076853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).