3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one

C15H18N2O — CID 84630302

IUPAC3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1ccc2[nH]cc(CC3CNCCC3=O)c2c1
InChIInChI=1S/C15H18N2O/c1-10-2-3-14-13(6-10)11(9-17-14)7-12-8-16-5-4-15(12)18/h2-3,6,9,12,16-17H,4-5,7-8H2,1H3
InChIKeyJHXWCBQABNANEX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.20
Rot. Bonds2

About 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one

3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one (PubChem CID 84630302) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
PubChem CID84630302
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
SMILESCc1ccc2[nH]cc(CC3CNCCC3=O)c2c1
InChIInChI=1S/C15H18N2O/c1-10-2-3-14-13(6-10)11(9-17-14)7-12-8-16-5-4-15(12)18/h2-3,6,9,12,16-17H,4-5,7-8H2,1H3
InChIKeyJHXWCBQABNANEX-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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Related Compounds

5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 121403174
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-[(2-bromothiophen-3-yl)methyl]piperidin-4-one
CID 127013321
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
3-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-one
CID 82298629
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one (CID 84630302) is 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one is Cc1ccc2[nH]cc(CC3CNCCC3=O)c2c1.
What is the InChIKey of 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
The InChIKey is JHXWCBQABNANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-2-3-14-13(6-10)11(9-17-14)7-12-8-16-5-4-15(12)18/h2-3,6,9,12,16-17H,4-5,7-8H2,1H3.
What are the key properties of 3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one?
3-[(5-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-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 84630302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).