1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one

C17H26N2O — CID 70593268

IUPAC1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1C=CC2=C(NCC2)C1C(=O)CCN1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13-5-6-14-7-9-18-17(14)16(13)15(20)8-12-19-10-3-2-4-11-19/h5-6,13,16,18H,2-4,7-12H2,1H3
InChIKeyQXASDJQREAGTFK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds4

About 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one

1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 70593268) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID70593268
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1C=CC2=C(NCC2)C1C(=O)CCN1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13-5-6-14-7-9-18-17(14)16(13)15(20)8-12-19-10-3-2-4-11-19/h5-6,13,16,18H,2-4,7-12H2,1H3
InChIKeyQXASDJQREAGTFK-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one (CID 70593268) is 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one is CC1C=CC2=C(NCC2)C1C(=O)CCN1CCCCC1.
What is the InChIKey of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is QXASDJQREAGTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-6-14-7-9-18-17(14)16(13)15(20)8-12-19-10-3-2-4-11-19/h5-6,13,16,18H,2-4,7-12H2,1H3.
What are the key properties of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one?
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 70593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).