1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone

C21H22ClN3O — CID 110411979

IUPAC1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-18-6-7-20-19(13-18)17(14-23-20)12-21(26)25-10-8-24(9-11-25)15-16-4-2-1-3-5-16/h1-7,13-14,23H,8-12,15H2
InChIKeyKUDGYWRMYPMGEC-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone (PubChem CID 110411979) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
PubChem CID110411979
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-18-6-7-20-19(13-18)17(14-23-20)12-21(26)25-10-8-24(9-11-25)15-16-4-2-1-3-5-16/h1-7,13-14,23H,8-12,15H2
InChIKeyKUDGYWRMYPMGEC-UHFFFAOYSA-N
XLogP3.71
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
2-(5-chloro-1H-indol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110413074
2-(5-chloro-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 110620099
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
CID 18894
5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-1H-indole-3-carboxylic acid
CID 22265170
2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419820
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone (CID 110411979) is 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone?
The InChIKey is KUDGYWRMYPMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-6-7-20-19(13-18)17(14-23-20)12-21(26)25-10-8-24(9-11-25)15-16-4-2-1-3-5-16/h1-7,13-14,23H,8-12,15H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone has a molecular weight of 367.88 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110411979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).