1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C29H31N3O2 — CID 2406607

IUPAC1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O2/c1-3-32-24-14-8-7-13-23(24)28(29(32)22-11-5-4-6-12-22)26(33)21-30-17-19-31(20-18-30)25-15-9-10-16-27(25)34-2/h4-16H,3,17-21H2,1-2H3
InChIKeyZRIVSTQRSFAJJW-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.34
Rot. Bonds7

About 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 2406607) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID2406607
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O2/c1-3-32-24-14-8-7-13-23(24)28(29(32)22-11-5-4-6-12-22)26(33)21-30-17-19-31(20-18-30)25-15-9-10-16-27(25)34-2/h4-16H,3,17-21H2,1-2H3
InChIKeyZRIVSTQRSFAJJW-UHFFFAOYSA-N
XLogP5.34
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 87017632
2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 7539637
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
ethyl 2-imino-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 173461955
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
1-(1-ethyl-2-phenylindol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone
CID 8877422
1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387788
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2364730

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 2406607) is 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is CCn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccccc3OC)CC2)c2ccccc21.
What is the InChIKey of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ZRIVSTQRSFAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-3-32-24-14-8-7-13-23(24)28(29(32)22-11-5-4-6-12-22)26(33)21-30-17-19-31(20-18-30)25-15-9-10-16-27(25)34-2/h4-16H,3,17-21H2,1-2H3.
What are the key properties of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 453.59 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2406607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).