1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

C15H18N2O — CID 2728359

IUPAC1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
InChIKeyPRFIVCWVSORYRV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.89
Rot. Bonds1

About 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 2728359) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID2728359
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
InChIKeyPRFIVCWVSORYRV-UHFFFAOYSA-N
XLogP2.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (CID 2728359) is 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is PRFIVCWVSORYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 2728359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).