3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C22H28N4O — CID 51934402

IUPAC3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H28N4O/c1-24(20-10-9-18-6-2-3-7-19(18)20)13-11-22(27)26-16-14-25(15-17-26)21-8-4-5-12-23-21/h2-8,12,20H,9-11,13-17H2,1H3/t20-/m1/s1
InChIKeyUTLKNVIFDDDMCP-HXUWFJFHSA-N
MW364.49 g/mol
LogP2.74
Rot. Bonds5

About 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 51934402) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID51934402
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H28N4O/c1-24(20-10-9-18-6-2-3-7-19(18)20)13-11-22(27)26-16-14-25(15-17-26)21-8-4-5-12-23-21/h2-8,12,20H,9-11,13-17H2,1H3/t20-/m1/s1
InChIKeyUTLKNVIFDDDMCP-HXUWFJFHSA-N
XLogP2.74
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 34201453
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1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 51934402) is 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCc2ccccc21.
What is the InChIKey of 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is UTLKNVIFDDDMCP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24(20-10-9-18-6-2-3-7-19(18)20)13-11-22(27)26-16-14-25(15-17-26)21-8-4-5-12-23-21/h2-8,12,20H,9-11,13-17H2,1H3/t20-/m1/s1.
What are the key properties of 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 364.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 51934402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).