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

C18H26N2O2 — CID 22375372

IUPAC1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C(C)C)CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3
InChIKeyLGEAAKLZEDQCKA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds3

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

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 22375372) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID22375372
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C(C)C)CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3
InChIKeyLGEAAKLZEDQCKA-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
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]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 22375372) is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one is COc1ccc2c(c1)C(N1CCN(C(=O)C(C)C)CC1)CC2.
What is the InChIKey of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is LGEAAKLZEDQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3.
What are the key properties of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.48, 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]-2-methylpropan-1-one is sourced from PubChem (CID 22375372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).