2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione

C18H20ClN5O2 — CID 23646508

IUPAC2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione
SMILESCN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O
InChIInChI=1S/C18H20ClN5O2/c1-22-16(25)14-15(17(22)26)24(9-11-5-2-3-7-13(11)19)18(21-14)23-8-4-6-12(20)10-23/h2-3,5,7,12H,4,6,8-10,20H2,1H3
InChIKeyOZWVKFJSBNRBAC-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione

2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione (PubChem CID 23646508) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione
PubChem CID23646508
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione
SMILESCN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O
InChIInChI=1S/C18H20ClN5O2/c1-22-16(25)14-15(17(22)26)24(9-11-5-2-3-7-13(11)19)18(21-14)23-8-4-6-12(20)10-23/h2-3,5,7,12H,4,6,8-10,20H2,1H3
InChIKeyOZWVKFJSBNRBAC-UHFFFAOYSA-N
XLogP1.74
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione (CID 23646508) is 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione is CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione?
The InChIKey is OZWVKFJSBNRBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-22-16(25)14-15(17(22)26)24(9-11-5-2-3-7-13(11)19)18(21-14)23-8-4-6-12(20)10-23/h2-3,5,7,12H,4,6,8-10,20H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione?
2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione has a molecular weight of 373.84 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methylpyrrolo[3,4-d]imidazole-4,6-dione is sourced from PubChem (CID 23646508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).