3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one

C15H18N2O — CID 84630306

IUPAC3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1cccc2c(CC3CNCCC3=O)c[nH]c12
InChIInChI=1S/C15H18N2O/c1-10-3-2-4-13-11(9-17-15(10)13)7-12-8-16-6-5-14(12)18/h2-4,9,12,16-17H,5-8H2,1H3
InChIKeyCMNAOZWBUARKFF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.20
Rot. Bonds2

About 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one

3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one (PubChem CID 84630306) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one
PubChem CID84630306
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1cccc2c(CC3CNCCC3=O)c[nH]c12
InChIInChI=1S/C15H18N2O/c1-10-3-2-4-13-11(9-17-15(10)13)7-12-8-16-6-5-14(12)18/h2-4,9,12,16-17H,5-8H2,1H3
InChIKeyCMNAOZWBUARKFF-UHFFFAOYSA-N
XLogP2.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one (CID 84630306) is 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one is Cc1cccc2c(CC3CNCCC3=O)c[nH]c12.
What is the InChIKey of 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The InChIKey is CMNAOZWBUARKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-3-2-4-13-11(9-17-15(10)13)7-12-8-16-6-5-14(12)18/h2-4,9,12,16-17H,5-8H2,1H3.
What are the key properties of 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one has a molecular weight of 242.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-1H-indol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 84630306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).