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

C18H26N2O2 — CID 22375370

IUPAC1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3
InChIKeyCQEFEELCRZPXCD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.63
Rot. Bonds4

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

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one (PubChem CID 22375370) 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]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one
PubChem CID22375370
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]butan-1-one
SMILESCCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3
InChIKeyCQEFEELCRZPXCD-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.63
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]butan-1-one?
The IUPAC name of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one (CID 22375370) is 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one is CCCC(=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]butan-1-one?
The InChIKey is CQEFEELCRZPXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one?
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.63, 4 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]butan-1-one is sourced from PubChem (CID 22375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).