1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride

C18H27Cl2N5O2 — CID 154896523

IUPAC1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride
SMILESCN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.Cl.Cl
InChIInChI=1S/C18H25N5O2.2ClH/c1-22-11-12(19)10-15(22)16(24)23-8-6-18(7-9-23)17(25)20-13-4-2-3-5-14(13)21-18;;/h2-5,12,15,21H,6-11,19H2,1H3,(H,20,25);2*1H/t12-,15-;;/m0../s1
InChIKeyMWVJRLLYAVTALU-XPTKPXFUSA-N
MW416.35 g/mol
LogP1.29
Rot. Bonds1

About 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride

1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride (PubChem CID 154896523) has the molecular formula C18H27Cl2N5O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride.

Molecular Properties

Compound Name1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride
PubChem CID154896523
Molecular FormulaC18H27Cl2N5O2
Molecular Weight416.35 g/mol
Exact Mass415.15
IUPAC Name1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride
SMILESCN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.Cl.Cl
InChIInChI=1S/C18H25N5O2.2ClH/c1-22-11-12(19)10-15(22)16(24)23-8-6-18(7-9-23)17(25)20-13-4-2-3-5-14(13)21-18;;/h2-5,12,15,21H,6-11,19H2,1H3,(H,20,25);2*1H/t12-,15-;;/m0../s1
InChIKeyMWVJRLLYAVTALU-XPTKPXFUSA-N
XLogP1.29
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The IUPAC name of 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride (CID 154896523) is 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride.
What is the SMILES notation for 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The canonical SMILES for 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride is CN1C[C@@H](N)C[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.Cl.Cl.
What is the InChIKey of 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
The InChIKey is MWVJRLLYAVTALU-XPTKPXFUSA-N. The full InChI is InChI=1S/C18H25N5O2.2ClH/c1-22-11-12(19)10-15(22)16(24)23-8-6-18(7-9-23)17(25)20-13-4-2-3-5-14(13)21-18;;/h2-5,12,15,21H,6-11,19H2,1H3,(H,20,25);2*1H/t12-,15-;;/m0../s1.
What are the key properties of 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride?
1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride is sourced from PubChem (CID 154896523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).