1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone

C21H20ClN3O2 — CID 113213107

IUPAC1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN3O2/c1-15(26)25-14-19(18-8-7-16(22)13-20(18)25)21(27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyYOSPLEYZGJUCHT-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.92
Rot. Bonds2

About 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone

1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone (PubChem CID 113213107) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
PubChem CID113213107
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN3O2/c1-15(26)25-14-19(18-8-7-16(22)13-20(18)25)21(27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyYOSPLEYZGJUCHT-UHFFFAOYSA-N
XLogP3.92
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
1-[3-(4-benzylpiperazine-1-carbonyl)-6-chloroindol-1-yl]ethanone
CID 113213106
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 22330413
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone (CID 113213107) is 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone is CC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The InChIKey is YOSPLEYZGJUCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15(26)25-14-19(18-8-7-16(22)13-20(18)25)21(27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone has a molecular weight of 381.86 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 113213107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).