N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide

C17H23N3O2 — CID 131902065

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cccc3c2CCC3=O)C1
InChIInChI=1S/C17H23N3O2/c1-19-8-9-20(2)12(11-19)10-18-17(22)15-5-3-4-14-13(15)6-7-16(14)21/h3-5,12H,6-11H2,1-2H3,(H,18,22)
InChIKeyFAZINHBENLEPIX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.79
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide (PubChem CID 131902065) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
PubChem CID131902065
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cccc3c2CCC3=O)C1
InChIInChI=1S/C17H23N3O2/c1-19-8-9-20(2)12(11-19)10-18-17(22)15-5-3-4-14-13(15)6-7-16(14)21/h3-5,12H,6-11H2,1-2H3,(H,18,22)
InChIKeyFAZINHBENLEPIX-UHFFFAOYSA-N
XLogP0.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
1-oxo-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-2,3-dihydroindene-4-carboxamide
CID 125436305
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 63897320
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide (CID 131902065) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide is CN1CCN(C)C(CNC(=O)c2cccc3c2CCC3=O)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide?
The InChIKey is FAZINHBENLEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-8-9-20(2)12(11-19)10-18-17(22)15-5-3-4-14-13(15)6-7-16(14)21/h3-5,12H,6-11H2,1-2H3,(H,18,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide is sourced from PubChem (CID 131902065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).