2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride

C23H30Cl2N4O2 — CID 120669812

IUPAC2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(29)26-14-12-25(13-15-26)16-21(28)27-11-10-18-4-2-3-5-20(18)27;;/h2-9,22H,10-16,24H2,1H3;2*1H
InChIKeyXDCDORTXHHQGLU-UHFFFAOYSA-N
MW465.43 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride

2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride (PubChem CID 120669812) has the molecular formula C23H30Cl2N4O2 and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
PubChem CID120669812
Molecular FormulaC23H30Cl2N4O2
Molecular Weight465.43 g/mol
Exact Mass464.17
IUPAC Name2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(29)26-14-12-25(13-15-26)16-21(28)27-11-10-18-4-2-3-5-20(18)27;;/h2-9,22H,10-16,24H2,1H3;2*1H
InChIKeyXDCDORTXHHQGLU-UHFFFAOYSA-N
XLogP2.57
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798614
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
N-(4-butan-2-ylphenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78899808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride (CID 120669812) is 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride is Cc1ccc(C(N)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride?
The InChIKey is XDCDORTXHHQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.2ClH/c1-17-6-8-19(9-7-17)22(24)23(29)26-14-12-25(13-15-26)16-21(28)27-11-10-18-4-2-3-5-20(18)27;;/h2-9,22H,10-16,24H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride?
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride has a molecular weight of 465.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride is sourced from PubChem (CID 120669812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).