6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one

C20H27N3O3 — CID 69201817

IUPAC6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(CN3CCN(C(=O)CN4CCOCC4)CC3)cc21
InChIInChI=1S/C20H27N3O3/c24-19-4-3-17-2-1-16(13-18(17)19)14-21-5-7-23(8-6-21)20(25)15-22-9-11-26-12-10-22/h1-2,13H,3-12,14-15H2
InChIKeyAWUHODGVPLFSSV-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.79
Rot. Bonds4

About 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one

6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one (PubChem CID 69201817) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
PubChem CID69201817
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(CN3CCN(C(=O)CN4CCOCC4)CC3)cc21
InChIInChI=1S/C20H27N3O3/c24-19-4-3-17-2-1-16(13-18(17)19)14-21-5-7-23(8-6-21)20(25)15-22-9-11-26-12-10-22/h1-2,13H,3-12,14-15H2
InChIKeyAWUHODGVPLFSSV-UHFFFAOYSA-N
XLogP0.79
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 69232295
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 69202913
4-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 55498959
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one (CID 69201817) is 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one is O=C1CCc2ccc(CN3CCN(C(=O)CN4CCOCC4)CC3)cc21.
What is the InChIKey of 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is AWUHODGVPLFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19-4-3-17-2-1-16(13-18(17)19)14-21-5-7-23(8-6-21)20(25)15-22-9-11-26-12-10-22/h1-2,13H,3-12,14-15H2.
What are the key properties of 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one?
6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 357.45 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69201817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).