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

C21H21N3O2 — CID 113207871

IUPAC1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-16(25)24-15-19(18-9-5-6-10-20(18)24)21(26)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyFKSSIMSWJKTGCF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.26
Rot. Bonds2

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

1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone (PubChem CID 113207871) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
PubChem CID113207871
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-16(25)24-15-19(18-9-5-6-10-20(18)24)21(26)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyFKSSIMSWJKTGCF-UHFFFAOYSA-N
XLogP3.26
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
1-[3-(4-benzylpiperazine-1-carbonyl)-6-chloroindol-1-yl]ethanone
CID 113213106
(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 87011127
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
1-[5-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113212751
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone (CID 113207871) is 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone is CC(=O)n1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
The InChIKey is FKSSIMSWJKTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16(25)24-15-19(18-9-5-6-10-20(18)24)21(26)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone?
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 113207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).