1-(1H-indole-7-carbonyl)piperidin-4-one

C14H14N2O2 — CID 112531297

IUPAC1-(1H-indole-7-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C14H14N2O2/c17-11-5-8-16(9-6-11)14(18)12-3-1-2-10-4-7-15-13(10)12/h1-4,7,15H,5-6,8-9H2
InChIKeyTXPUNYATMPYCMZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.97
Rot. Bonds1

About 1-(1H-indole-7-carbonyl)piperidin-4-one

1-(1H-indole-7-carbonyl)piperidin-4-one (PubChem CID 112531297) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(1H-indole-7-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1H-indole-7-carbonyl)piperidin-4-one
PubChem CID112531297
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(1H-indole-7-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C14H14N2O2/c17-11-5-8-16(9-6-11)14(18)12-3-1-2-10-4-7-15-13(10)12/h1-4,7,15H,5-6,8-9H2
InChIKeyTXPUNYATMPYCMZ-UHFFFAOYSA-N
XLogP1.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(1S,5R)-3-(1H-indole-7-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135088902
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323154
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
1H-indol-7-yl-[4-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]methanone
CID 166114822
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
(1S,5R)-7-(1H-indole-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155507493
[4-[(E)-but-2-enyl]-1,4-diazepan-1-yl]-(1H-indol-7-yl)methanone
CID 137343850

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-7-carbonyl)piperidin-4-one?
The IUPAC name of 1-(1H-indole-7-carbonyl)piperidin-4-one (CID 112531297) is 1-(1H-indole-7-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(1H-indole-7-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(1H-indole-7-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2cccc3cc[nH]c23)CC1.
What is the InChIKey of 1-(1H-indole-7-carbonyl)piperidin-4-one?
The InChIKey is TXPUNYATMPYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-11-5-8-16(9-6-11)14(18)12-3-1-2-10-4-7-15-13(10)12/h1-4,7,15H,5-6,8-9H2.
What are the key properties of 1-(1H-indole-7-carbonyl)piperidin-4-one?
1-(1H-indole-7-carbonyl)piperidin-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-7-carbonyl)piperidin-4-one is sourced from PubChem (CID 112531297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).