1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one

C17H21NO — CID 58514231

IUPAC1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2c(c1)CC=C2
InChIInChI=1S/C17H21NO/c19-17(9-12-18-10-2-1-3-11-18)16-8-7-14-5-4-6-15(14)13-16/h4-5,7-8,13H,1-3,6,9-12H2
InChIKeyQXCCYHGFTFGWHR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.31
Rot. Bonds4

About 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one

1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514231) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514231
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2c(c1)CC=C2
InChIInChI=1S/C17H21NO/c19-17(9-12-18-10-2-1-3-11-18)16-8-7-14-5-4-6-15(14)13-16/h4-5,7-8,13H,1-3,6,9-12H2
InChIKeyQXCCYHGFTFGWHR-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one (CID 58514231) is 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc2c(c1)CC=C2.
What is the InChIKey of 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is QXCCYHGFTFGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(9-12-18-10-2-1-3-11-18)16-8-7-14-5-4-6-15(14)13-16/h4-5,7-8,13H,1-3,6,9-12H2.
What are the key properties of 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).