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

C24H27N3O — CID 76867455

IUPAC(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C24H27N3O/c1-2-27-22-13-7-6-12-21(22)19-23(27)24(28)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3
InChIKeyCXEUIJWMYBXUOM-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds5

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

(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 76867455) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID76867455
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C24H27N3O/c1-2-27-22-13-7-6-12-21(22)19-23(27)24(28)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3
InChIKeyCXEUIJWMYBXUOM-UHFFFAOYSA-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

(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 78087560
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42667458
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 76867455) is (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is CCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc2ccccc21.
What is the InChIKey of (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is CXEUIJWMYBXUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-27-22-13-7-6-12-21(22)19-23(27)24(28)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-13,19H,2,14-18H2,1H3.
What are the key properties of (1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(1-ethylindol-2-yl)-[4-(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-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 76867455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).