2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C21H23N3O — CID 31853042

IUPAC2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-16-19(18-9-5-6-10-20(18)22-16)15-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,22H,11-15H2,1H3
InChIKeyPUSBKFOYPXTZGZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 31853042) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID31853042
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-16-19(18-9-5-6-10-20(18)22-16)15-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,22H,11-15H2,1H3
InChIKeyPUSBKFOYPXTZGZ-UHFFFAOYSA-N
XLogP3.37
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31955040
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-(2-methyl-1H-indol-3-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816958
2-(2-methyl-1H-indol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 31987168
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
1-(3-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 115874683
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
1-(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 42470877

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 31853042) is 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is PUSBKFOYPXTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-19(18-9-5-6-10-20(18)22-16)15-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,22H,11-15H2,1H3.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 31853042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).