1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one

C14H17N3O — CID 82386276

IUPAC1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one
SMILESCc1cc2[nH]c(N3CCC(=O)CC3)cc2cc1N
InChIInChI=1S/C14H17N3O/c1-9-6-13-10(7-12(9)15)8-14(16-13)17-4-2-11(18)3-5-17/h6-8,16H,2-5,15H2,1H3
InChIKeyRFABHLVNCSUZED-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds1

About 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one

1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one (PubChem CID 82386276) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one
PubChem CID82386276
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one
SMILESCc1cc2[nH]c(N3CCC(=O)CC3)cc2cc1N
InChIInChI=1S/C14H17N3O/c1-9-6-13-10(7-12(9)15)8-14(16-13)17-4-2-11(18)3-5-17/h6-8,16H,2-5,15H2,1H3
InChIKeyRFABHLVNCSUZED-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one?
The IUPAC name of 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one (CID 82386276) is 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one?
The canonical SMILES for 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one is Cc1cc2[nH]c(N3CCC(=O)CC3)cc2cc1N.
What is the InChIKey of 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one?
The InChIKey is RFABHLVNCSUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-6-13-10(7-12(9)15)8-14(16-13)17-4-2-11(18)3-5-17/h6-8,16H,2-5,15H2,1H3.
What are the key properties of 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one?
1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one is sourced from PubChem (CID 82386276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).