3-[(1-methylindol-3-yl)methyl]piperidin-4-one

C15H18N2O — CID 83488034

IUPAC3-[(1-methylindol-3-yl)methyl]piperidin-4-one
SMILESCn1cc(CC2CNCCC2=O)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-17-10-12(13-4-2-3-5-14(13)17)8-11-9-16-7-6-15(11)18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyFQQHLNSHVYEMKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.90
Rot. Bonds2

About 3-[(1-methylindol-3-yl)methyl]piperidin-4-one

3-[(1-methylindol-3-yl)methyl]piperidin-4-one (PubChem CID 83488034) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(1-methylindol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(1-methylindol-3-yl)methyl]piperidin-4-one
PubChem CID83488034
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(1-methylindol-3-yl)methyl]piperidin-4-one
SMILESCn1cc(CC2CNCCC2=O)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-17-10-12(13-4-2-3-5-14(13)17)8-11-9-16-7-6-15(11)18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyFQQHLNSHVYEMKL-UHFFFAOYSA-N
XLogP1.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(1-methylindol-3-yl)methyl]piperidin-4-one (CID 83488034) is 3-[(1-methylindol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(1-methylindol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(1-methylindol-3-yl)methyl]piperidin-4-one is Cn1cc(CC2CNCCC2=O)c2ccccc21.
What is the InChIKey of 3-[(1-methylindol-3-yl)methyl]piperidin-4-one?
The InChIKey is FQQHLNSHVYEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-10-12(13-4-2-3-5-14(13)17)8-11-9-16-7-6-15(11)18/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 3-[(1-methylindol-3-yl)methyl]piperidin-4-one?
3-[(1-methylindol-3-yl)methyl]piperidin-4-one has a molecular weight of 242.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 83488034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).