6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one

C13H16N4O3 — CID 102986412

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
SMILESN[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1
InChIInChI=1S/C13H16N4O3/c14-9-2-1-3-16(7-9)11-6-10-8(5-13(18)15-10)4-12(11)17(19)20/h4,6,9H,1-3,5,7,14H2,(H,15,18)/t9-/m1/s1
InChIKeyKYBJDIYQQBYBEV-SECBINFHSA-N
MW276.30 g/mol
LogP1.02
Rot. Bonds2

About 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one

6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 102986412) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
PubChem CID102986412
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
SMILESN[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1
InChIInChI=1S/C13H16N4O3/c14-9-2-1-3-16(7-9)11-6-10-8(5-13(18)15-10)4-12(11)17(19)20/h4,6,9H,1-3,5,7,14H2,(H,15,18)/t9-/m1/s1
InChIKeyKYBJDIYQQBYBEV-SECBINFHSA-N
XLogP1.02
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
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'}

Analyze 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 102986194
6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 63267531
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
5-amino-6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dihydroindol-2-one
CID 63150926
6-(2,2-dimethylpiperazin-1-yl)-5-nitro-1,3-dihydroindol-2-one
CID 65462407
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133326272
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one (CID 102986412) is 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one is N[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is KYBJDIYQQBYBEV-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-9-2-1-3-16(7-9)11-6-10-8(5-13(18)15-10)4-12(11)17(19)20/h4,6,9H,1-3,5,7,14H2,(H,15,18)/t9-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one?
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 276.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 102986412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).