1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one

C24H29N3O2 — CID 42808911

IUPAC1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccc(OC)cc2)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H29N3O2/c1-3-26-12-14-27(15-13-26)24(28)16-21(18-8-10-19(29-2)11-9-18)22-17-25-23-7-5-4-6-20(22)23/h4-11,17,21,25H,3,12-16H2,1-2H3
InChIKeyCYGXXZYBUDDHSF-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one

1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 42808911) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID42808911
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccc(OC)cc2)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H29N3O2/c1-3-26-12-14-27(15-13-26)24(28)16-21(18-8-10-19(29-2)11-9-18)22-17-25-23-7-5-4-6-20(22)23/h4-11,17,21,25H,3,12-16H2,1-2H3
InChIKeyCYGXXZYBUDDHSF-UHFFFAOYSA-N
XLogP3.86
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 42808915
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 24717628
3-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)-3-(5-methoxy-1H-indol-3-yl)propan-1-one
CID 83282119
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 93122110
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93110505
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
(3S)-1-(4-ethylpiperazin-1-yl)-3-(5-nitro-1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
CID 93299605

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one (CID 42808911) is 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one is CCN1CCN(C(=O)CC(c2ccc(OC)cc2)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is CYGXXZYBUDDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26-12-14-27(15-13-26)24(28)16-21(18-8-10-19(29-2)11-9-18)22-17-25-23-7-5-4-6-20(22)23/h4-11,17,21,25H,3,12-16H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 391.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 42808911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).