2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide

C22H27N3O2 — CID 56675914

IUPAC2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
SMILESCN1CCN(C2(CNC(=O)c3ccccc3O)Cc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-10-12-25(13-11-24)22(14-17-6-2-3-7-18(17)15-22)16-23-21(27)19-8-4-5-9-20(19)26/h2-9,26H,10-16H2,1H3,(H,23,27)
InChIKeyFPGJCVCPGNATKW-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.91
Rot. Bonds4

About 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide

2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide (PubChem CID 56675914) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
PubChem CID56675914
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
SMILESCN1CCN(C2(CNC(=O)c3ccccc3O)Cc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-10-12-25(13-11-24)22(14-17-6-2-3-7-18(17)15-22)16-23-21(27)19-8-4-5-9-20(19)26/h2-9,26H,10-16H2,1H3,(H,23,27)
InChIKeyFPGJCVCPGNATKW-UHFFFAOYSA-N
XLogP1.91
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide (CID 56675914) is 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide is CN1CCN(C2(CNC(=O)c3ccccc3O)Cc3ccccc3C2)CC1.
What is the InChIKey of 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The InChIKey is FPGJCVCPGNATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-10-12-25(13-11-24)22(14-17-6-2-3-7-18(17)15-22)16-23-21(27)19-8-4-5-9-20(19)26/h2-9,26H,10-16H2,1H3,(H,23,27).
What are the key properties of 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide is sourced from PubChem (CID 56675914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).