4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

C18H26N2O — CID 69199084

IUPAC4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCc1cc(CN2CCN(C(C)C)CC2)cc2c1CCC2=O
InChIInChI=1S/C18H26N2O/c1-13(2)20-8-6-19(7-9-20)12-15-10-14(3)16-4-5-18(21)17(16)11-15/h10-11,13H,4-9,12H2,1-3H3
InChIKeyYWAAXYOFMPCFCM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.65
Rot. Bonds3

About 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 69199084) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID69199084
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCc1cc(CN2CCN(C(C)C)CC2)cc2c1CCC2=O
InChIInChI=1S/C18H26N2O/c1-13(2)20-8-6-19(7-9-20)12-15-10-14(3)16-4-5-18(21)17(16)11-15/h10-11,13H,4-9,12H2,1-3H3
InChIKeyYWAAXYOFMPCFCM-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (CID 69199084) is 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is Cc1cc(CN2CCN(C(C)C)CC2)cc2c1CCC2=O.
What is the InChIKey of 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is YWAAXYOFMPCFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)20-8-6-19(7-9-20)12-15-10-14(3)16-4-5-18(21)17(16)11-15/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69199084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).