1-(1H-indol-5-yl)piperidin-4-one

C13H14N2O — CID 83972067

IUPAC1-(1H-indol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C13H14N2O/c16-12-4-7-15(8-5-12)11-1-2-13-10(9-11)3-6-14-13/h1-3,6,9,14H,4-5,7-8H2
InChIKeyQMEXQCOAPZMTRW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.34
Rot. Bonds1

About 1-(1H-indol-5-yl)piperidin-4-one

1-(1H-indol-5-yl)piperidin-4-one (PubChem CID 83972067) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1H-indol-5-yl)piperidin-4-one
PubChem CID83972067
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(1H-indol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C13H14N2O/c16-12-4-7-15(8-5-12)11-1-2-13-10(9-11)3-6-14-13/h1-3,6,9,14H,4-5,7-8H2
InChIKeyQMEXQCOAPZMTRW-UHFFFAOYSA-N
XLogP2.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-5-yl)-3,4-dihydro-1H-isoquinoline
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5-(1,4-diazepan-1-yl)-1H-indole
CID 83972060
5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
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(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
CID 175732870
CID 134907069
CID 134907069
2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90761259
4-(1H-indol-6-yl)piperazine-1-carboxylic acid
CID 66955061
5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride
CID 69051868
1-(1H-indol-5-yl)-3H-indol-2-one
CID 70205556
1-(1H-indol-5-yl)pyrazin-2-one
CID 23086778
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)indole;5-(4-methylpiperazin-1-yl)-1H-indole
CID 158353083
2-methyl-4-(4-oxopiperidin-1-yl)benzonitrile
CID 79019443

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)piperidin-4-one?
The IUPAC name of 1-(1H-indol-5-yl)piperidin-4-one (CID 83972067) is 1-(1H-indol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(1H-indol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(1H-indol-5-yl)piperidin-4-one is O=C1CCN(c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1-(1H-indol-5-yl)piperidin-4-one?
The InChIKey is QMEXQCOAPZMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12-4-7-15(8-5-12)11-1-2-13-10(9-11)3-6-14-13/h1-3,6,9,14H,4-5,7-8H2.
What are the key properties of 1-(1H-indol-5-yl)piperidin-4-one?
1-(1H-indol-5-yl)piperidin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)piperidin-4-one is sourced from PubChem (CID 83972067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).