4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole

C15H21N3O2 — CID 133498293

IUPAC4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole
SMILESCC1CC(C)CN(c2c([N+](=O)[O-])ccc3c2CCN3)C1
InChIInChI=1S/C15H21N3O2/c1-10-7-11(2)9-17(8-10)15-12-5-6-16-13(12)3-4-14(15)18(19)20/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyMMGBCIDJZFFNGX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.05
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole

4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole (PubChem CID 133498293) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole
PubChem CID133498293
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole
SMILESCC1CC(C)CN(c2c([N+](=O)[O-])ccc3c2CCN3)C1
InChIInChI=1S/C15H21N3O2/c1-10-7-11(2)9-17(8-10)15-12-5-6-16-13(12)3-4-14(15)18(19)20/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyMMGBCIDJZFFNGX-UHFFFAOYSA-N
XLogP3.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.05
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-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
(3S,5S)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperidine
CID 7275416
ethyl 4-(3,5-dimethylpiperidin-1-yl)-3,5-dinitrobenzoate
CID 132593782
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzonitrile
CID 40560292
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
(3R,5R)-1-(2,6-difluoro-4-nitrophenyl)-3,5-dimethylpiperidine
CID 124560155
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
CID 40560319
5-bromo-4-nitro-2,3-dihydro-1H-indole
CID 618069
(3S,5R)-1-(4-methoxy-2-nitrophenyl)-3,5-dimethylpiperidine
CID 99966439
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 2857981
5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
CID 133498252

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole (CID 133498293) is 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole is CC1CC(C)CN(c2c([N+](=O)[O-])ccc3c2CCN3)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole?
The InChIKey is MMGBCIDJZFFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-11(2)9-17(8-10)15-12-5-6-16-13(12)3-4-14(15)18(19)20/h3-4,10-11,16H,5-9H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole?
4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole has a molecular weight of 275.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-5-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 133498293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).