6-nitro-1-piperidin-4-yl-2,3-dihydroindole

C13H17N3O2 — CID 22037978

IUPAC6-nitro-1-piperidin-4-yl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc2c(c1)N(C1CCNCC1)CC2
InChIInChI=1S/C13H17N3O2/c17-16(18)12-2-1-10-5-8-15(13(10)9-12)11-3-6-14-7-4-11/h1-2,9,11,14H,3-8H2
InChIKeyHUSWWXPSZVHXHJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.71
Rot. Bonds2

About 6-nitro-1-piperidin-4-yl-2,3-dihydroindole

6-nitro-1-piperidin-4-yl-2,3-dihydroindole (PubChem CID 22037978) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-nitro-1-piperidin-4-yl-2,3-dihydroindole.

Molecular Properties

Compound Name6-nitro-1-piperidin-4-yl-2,3-dihydroindole
PubChem CID22037978
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-nitro-1-piperidin-4-yl-2,3-dihydroindole
SMILESO=[N+]([O-])c1ccc2c(c1)N(C1CCNCC1)CC2
InChIInChI=1S/C13H17N3O2/c17-16(18)12-2-1-10-5-8-15(13(10)9-12)11-3-6-14-7-4-11/h1-2,9,11,14H,3-8H2
InChIKeyHUSWWXPSZVHXHJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
CID 11711146
morpholin-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 119699466
1-(6-nitro-2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119699455
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
1-cyclohexylsulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 122630596
7-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 91017574
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
methyl-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)borinic acid
CID 149140996
tert-butyl (2S,4S)-4-(6-nitro-2,3-dihydroindol-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507056

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-piperidin-4-yl-2,3-dihydroindole?
The IUPAC name of 6-nitro-1-piperidin-4-yl-2,3-dihydroindole (CID 22037978) is 6-nitro-1-piperidin-4-yl-2,3-dihydroindole.
What is the SMILES notation for 6-nitro-1-piperidin-4-yl-2,3-dihydroindole?
The canonical SMILES for 6-nitro-1-piperidin-4-yl-2,3-dihydroindole is O=[N+]([O-])c1ccc2c(c1)N(C1CCNCC1)CC2.
What is the InChIKey of 6-nitro-1-piperidin-4-yl-2,3-dihydroindole?
The InChIKey is HUSWWXPSZVHXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-16(18)12-2-1-10-5-8-15(13(10)9-12)11-3-6-14-7-4-11/h1-2,9,11,14H,3-8H2.
What are the key properties of 6-nitro-1-piperidin-4-yl-2,3-dihydroindole?
6-nitro-1-piperidin-4-yl-2,3-dihydroindole has a molecular weight of 247.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-piperidin-4-yl-2,3-dihydroindole is sourced from PubChem (CID 22037978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).