1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione

C16H20N2O2 — CID 64956720

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-10(2)15-16(20)18(9-14(19)17-15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyVKEHIQIKMSGDTF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.66
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione

1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64956720) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64956720
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-10(2)15-16(20)18(9-14(19)17-15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyVKEHIQIKMSGDTF-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(3-bromo-4-methylphenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970829
3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64956447
1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107604202
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956695
3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959975

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64956720) is 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VKEHIQIKMSGDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)15-16(20)18(9-14(19)17-15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,15H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64956720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).