1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one

C16H18N2O2 — CID 63555836

IUPAC1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
SMILESCc1ccc2c(ccn2CC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C16H18N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(20)17-8-5-14(19)6-9-17/h2-4,7,10H,5-6,8-9,11H2,1H3
InChIKeyOFKUHEALWMLTLQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.14
Rot. Bonds2

About 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one

1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one (PubChem CID 63555836) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
PubChem CID63555836
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
SMILESCc1ccc2c(ccn2CC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C16H18N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(20)17-8-5-14(19)6-9-17/h2-4,7,10H,5-6,8-9,11H2,1H3
InChIKeyOFKUHEALWMLTLQ-UHFFFAOYSA-N
XLogP2.14
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one (CID 63555836) is 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one is Cc1ccc2c(ccn2CC(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one?
The InChIKey is OFKUHEALWMLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-2-3-15-13(10-12)4-7-18(15)11-16(20)17-8-5-14(19)6-9-17/h2-4,7,10H,5-6,8-9,11H2,1H3.
What are the key properties of 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one?
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one has a molecular weight of 270.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 63555836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).