2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C20H28N4O3 — CID 4188516

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChIKeyAAKOYVKAXOHXBZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.63
Rot. Bonds6

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 4188516) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID4188516
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChIKeyAAKOYVKAXOHXBZ-UHFFFAOYSA-N
XLogP1.63
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
CID 4270974
2-{4-[4-(2-phenoxyphenyl)-1-piperazinyl]butyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 10718893
2-[4-[4-(2-butoxyphenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride
CID 52942944
Pyrrolidine-1,2-dicarboxylic acid 1-cyclohexylamide 2-[(2-methoxy-phenyl)-amide]
CID 3219731
2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 3510060
2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 4079627
2-{4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 4165402
2-(4-methoxyphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4842742
2-{3-[4-(2-butoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 4174147
2-[4-[4-(2-butoxyphenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 10252814
2-{4-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-butyl}-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 10646872

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 4188516) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is COc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is AAKOYVKAXOHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 4188516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).