(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one

C15H19N3O4 — CID 51709278

IUPAC(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one
SMILESCc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1
InChIInChI=1S/C15H19N3O4/c1-9-4-3-5-17(8-9)15(20)12-7-11(18(21)22)6-10(2)13(12)16-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19)/t9-,15+/m0/s1
InChIKeyBQFKSLBLOMEADE-BJOHPYRUSA-N
MW305.33 g/mol
LogP1.73
Rot. Bonds2

About (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one

(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one (PubChem CID 51709278) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one
PubChem CID51709278
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one
SMILESCc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1
InChIInChI=1S/C15H19N3O4/c1-9-4-3-5-17(8-9)15(20)12-7-11(18(21)22)6-10(2)13(12)16-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19)/t9-,15+/m0/s1
InChIKeyBQFKSLBLOMEADE-BJOHPYRUSA-N
XLogP1.73
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.73
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 (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-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

(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-1H-indol-2-one
CID 7258511
7-methyl-5-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 135124158
(3S)-3-(azepan-1-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7455459
2-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid
CID 132591550
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
(1R,4R)-8-azatricyclo[6.3.1.04,12]dodecane;2,4,6-trinitrophenol
CID 71299516
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
(3S,3'aS,8'aS,8'bS)-5-chloro-7-methyl-2'-(2-methyl-4-nitrophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 100823681
(3R,3'aR,8'aS,8'bS)-5-chloro-7-methyl-2'-(2-methyl-4-nitrophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 51554610
(2-amino-3-chloro-5-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 107199902
3-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 62476675

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one (CID 51709278) is (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one is Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1.
What is the InChIKey of (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one?
The InChIKey is BQFKSLBLOMEADE-BJOHPYRUSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-4-3-5-17(8-9)15(20)12-7-11(18(21)22)6-10(2)13(12)16-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19)/t9-,15+/m0/s1.
What are the key properties of (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one?
(3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one has a molecular weight of 305.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-7-methyl-3-[(3S)-3-methylpiperidin-1-yl]-5-nitro-1H-indol-2-one is sourced from PubChem (CID 51709278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).