1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one

C17H25N3O — CID 18344862

IUPAC1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CCN(C)C2Cc3ccccc3C2)C(=O)C1
InChIInChI=1S/C17H25N3O/c1-18-7-9-20(17(21)13-18)10-8-19(2)16-11-14-5-3-4-6-15(14)12-16/h3-6,16H,7-13H2,1-2H3
InChIKeyBSOBPJJQOJQYEO-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.86
Rot. Bonds4

About 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one

1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one (PubChem CID 18344862) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one
PubChem CID18344862
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CCN(C)C2Cc3ccccc3C2)C(=O)C1
InChIInChI=1S/C17H25N3O/c1-18-7-9-20(17(21)13-18)10-8-19(2)16-11-14-5-3-4-6-15(14)12-16/h3-6,16H,7-13H2,1-2H3
InChIKeyBSOBPJJQOJQYEO-UHFFFAOYSA-N
XLogP0.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one (CID 18344862) is 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one is CN1CCN(CCN(C)C2Cc3ccccc3C2)C(=O)C1.
What is the InChIKey of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one?
The InChIKey is BSOBPJJQOJQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-7-9-20(17(21)13-18)10-8-19(2)16-11-14-5-3-4-6-15(14)12-16/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one?
1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one has a molecular weight of 287.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 18344862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).