1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one

C15H16N2O2 — CID 28753763

IUPAC1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H16N2O2/c18-12-5-7-17(8-6-12)15(19)9-11-10-16-14-4-2-1-3-13(11)14/h1-4,10,16H,5-9H2
InChIKeyAUQFTRDHGVOTKK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.90
Rot. Bonds2

About 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one

1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one (PubChem CID 28753763) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
PubChem CID28753763
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H16N2O2/c18-12-5-7-17(8-6-12)15(19)9-11-10-16-14-4-2-1-3-13(11)14/h1-4,10,16H,5-9H2
InChIKeyAUQFTRDHGVOTKK-UHFFFAOYSA-N
XLogP1.90
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)acetyl]-4-phenyl-1,4-diazepan-5-one
CID 110867163
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
CID 166302710
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one (CID 28753763) is 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one is O=C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one?
The InChIKey is AUQFTRDHGVOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-12-5-7-17(8-6-12)15(19)9-11-10-16-14-4-2-1-3-13(11)14/h1-4,10,16H,5-9H2.
What are the key properties of 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one?
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 28753763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).