1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one

C17H24N2O2 — CID 22375417

IUPAC1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H24N2O2/c1-3-17(20)19-10-8-18(9-11-19)16-7-5-13-4-6-14(21-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3
InChIKeyQEJQNPQIXXMXFR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one (PubChem CID 22375417) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one
PubChem CID22375417
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H24N2O2/c1-3-17(20)19-10-8-18(9-11-19)16-7-5-13-4-6-14(21-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3
InChIKeyQEJQNPQIXXMXFR-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one (CID 22375417) is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1.
What is the InChIKey of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QEJQNPQIXXMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-17(20)19-10-8-18(9-11-19)16-7-5-13-4-6-14(21-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one?
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 22375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).