2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C19H24ClN3O2 — CID 119033797

IUPAC2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCN1CCCC(CN2C(=O)C3CCCN3C2=O)C1c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O2/c1-21-9-3-6-14(17(21)13-5-2-7-15(20)11-13)12-23-18(24)16-8-4-10-22(16)19(23)25/h2,5,7,11,14,16-17H,3-4,6,8-10,12H2,1H3
InChIKeyYSQMNLRZNZMJJE-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.15
Rot. Bonds3

About 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 119033797) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID119033797
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCN1CCCC(CN2C(=O)C3CCCN3C2=O)C1c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O2/c1-21-9-3-6-14(17(21)13-5-2-7-15(20)11-13)12-23-18(24)16-8-4-10-22(16)19(23)25/h2,5,7,11,14,16-17H,3-4,6,8-10,12H2,1H3
InChIKeyYSQMNLRZNZMJJE-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione 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 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 119033797) is 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CN1CCCC(CN2C(=O)C3CCCN3C2=O)C1c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is YSQMNLRZNZMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-21-9-3-6-14(17(21)13-5-2-7-15(20)11-13)12-23-18(24)16-8-4-10-22(16)19(23)25/h2,5,7,11,14,16-17H,3-4,6,8-10,12H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 361.87 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 119033797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).