2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

C20H20N4O3 — CID 124780833

IUPAC2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C20H20N4O3/c25-20(23-11-2-1-6-17(23)15-5-4-10-21-13-15)14-22-12-9-16-18(22)7-3-8-19(16)24(26)27/h3-5,7-10,12-13,17H,1-2,6,11,14H2/t17-/m1/s1
InChIKeyUEZBVSRCIWQLBS-QGZVFWFLSA-N
MW364.41 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (PubChem CID 124780833) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
PubChem CID124780833
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C20H20N4O3/c25-20(23-11-2-1-6-17(23)15-5-4-10-21-13-15)14-22-12-9-16-18(22)7-3-8-19(16)24(26)27/h3-5,7-10,12-13,17H,1-2,6,11,14H2/t17-/m1/s1
InChIKeyUEZBVSRCIWQLBS-QGZVFWFLSA-N
XLogP3.70
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 97150651
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
1-[(2S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-(4-nitroindol-1-yl)ethanone
CID 171152996
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 162976309
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (CID 124780833) is 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The InChIKey is UEZBVSRCIWQLBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(23-11-2-1-6-17(23)15-5-4-10-21-13-15)14-22-12-9-16-18(22)7-3-8-19(16)24(26)27/h3-5,7-10,12-13,17H,1-2,6,11,14H2/t17-/m1/s1.
What are the key properties of 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 124780833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).