1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide

C23H28N4O2 — CID 51265836

IUPAC1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C23H28N4O2/c1-3-25-12-14-26(15-13-25)22-7-5-4-6-20(22)24-23(29)19-8-9-21-18(16-19)10-11-27(21)17(2)28/h4-9,16H,3,10-15H2,1-2H3,(H,24,29)
InChIKeyFXBFYNUDPYYSPT-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.99
Rot. Bonds4

About 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 51265836) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID51265836
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C23H28N4O2/c1-3-25-12-14-26(15-13-25)22-7-5-4-6-20(22)24-23(29)19-8-9-21-18(16-19)10-11-27(21)17(2)28/h4-9,16H,3,10-15H2,1-2H3,(H,24,29)
InChIKeyFXBFYNUDPYYSPT-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 51265836) is 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is FXBFYNUDPYYSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-25-12-14-26(15-13-25)22-7-5-4-6-20(22)24-23(29)19-8-9-21-18(16-19)10-11-27(21)17(2)28/h4-9,16H,3,10-15H2,1-2H3,(H,24,29).
What are the key properties of 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51265836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).