(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C24H27N3O — CID 112798203

IUPAC(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-2-26-19-22(21-12-6-7-13-23(21)26)24(28)27-17-15-25(16-18-27)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3/b11-8+
InChIKeyUEDYIWUZBHSGDA-DHZHZOJOSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds5

About (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 112798203) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID112798203
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-2-26-19-22(21-12-6-7-13-23(21)26)24(28)27-17-15-25(16-18-27)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3/b11-8+
InChIKeyUEDYIWUZBHSGDA-DHZHZOJOSA-N
XLogP4.13
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71964720
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
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(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(3S)-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 93119880
(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110655404
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
(3-methyl-1-propylpyrazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 72864146
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 112798203) is (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is CCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is UEDYIWUZBHSGDA-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-26-19-22(21-12-6-7-13-23(21)26)24(28)27-17-15-25(16-18-27)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3/b11-8+.
What are the key properties of (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112798203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).