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

C19H27N5O2 — CID 10618325

IUPAC2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESNc1cccc(N2CCN(CCCN3C(=O)C4CCCN4C3=O)CC2)c1
InChIInChI=1S/C19H27N5O2/c20-15-4-1-5-16(14-15)22-12-10-21(11-13-22)7-3-9-24-18(25)17-6-2-8-23(17)19(24)26/h1,4-5,14,17H,2-3,6-13,20H2
InChIKeyLSXWIDWWJRJEML-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.21
Rot. Bonds5

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

2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 10618325) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID10618325
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESNc1cccc(N2CCN(CCCN3C(=O)C4CCCN4C3=O)CC2)c1
InChIInChI=1S/C19H27N5O2/c20-15-4-1-5-16(14-15)22-12-10-21(11-13-22)7-3-9-24-18(25)17-6-2-8-23(17)19(24)26/h1,4-5,14,17H,2-3,6-13,20H2
InChIKeyLSXWIDWWJRJEML-UHFFFAOYSA-N
XLogP1.21
TPSA73.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 10618325) is 2-[3-[4-(3-aminophenyl)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-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is Nc1cccc(N2CCN(CCCN3C(=O)C4CCCN4C3=O)CC2)c1.
What is the InChIKey of 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is LSXWIDWWJRJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c20-15-4-1-5-16(14-15)22-12-10-21(11-13-22)7-3-9-24-18(25)17-6-2-8-23(17)19(24)26/h1,4-5,14,17H,2-3,6-13,20H2.
What are the key properties of 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 357.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 10618325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).