1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

C24H27N3O — CID 110655404

IUPAC1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCn1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-25-18-22(21-11-5-6-12-23(21)25)24(28)19-27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18H,13-17,19H2,1H3/b10-7+
InChIKeyFBJVEVMGEDQYFJ-JXMROGBWSA-N
MW373.50 g/mol
LogP3.69
Rot. Bonds6

About 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 110655404) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
PubChem CID110655404
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCn1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-25-18-22(21-11-5-6-12-23(21)25)24(28)19-27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18H,13-17,19H2,1H3/b10-7+
InChIKeyFBJVEVMGEDQYFJ-JXMROGBWSA-N
XLogP3.69
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindol-3-yl)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 42774763
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
CID 110655403
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
1-(3,4-dihydroxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 110209124
(3R)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 93122471
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-[(S)-carboxy-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1-methylindole-6-carboxylic acid
CID 51720106

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (CID 110655404) is 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is Cn1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is FBJVEVMGEDQYFJ-JXMROGBWSA-N. The full InChI is InChI=1S/C24H27N3O/c1-25-18-22(21-11-5-6-12-23(21)25)24(28)19-27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18H,13-17,19H2,1H3/b10-7+.
What are the key properties of 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110655404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).