7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C17H27N3O3 — CID 122135660

IUPAC7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)N3CCCC3(C)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-12(2)11-14(21)18-9-5-13(6-10-18)20-15(22)17(3)7-4-8-19(17)16(20)23/h12-13H,4-11H2,1-3H3
InChIKeyCHPFIPUNIKUIJO-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.84
Rot. Bonds3

About 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 122135660) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID122135660
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)N3CCCC3(C)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-12(2)11-14(21)18-9-5-13(6-10-18)20-15(22)17(3)7-4-8-19(17)16(20)23/h12-13H,4-11H2,1-3H3
InChIKeyCHPFIPUNIKUIJO-UHFFFAOYSA-N
XLogP1.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 122135660) is 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is CC(C)CC(=O)N1CCC(N2C(=O)N3CCCC3(C)C2=O)CC1.
What is the InChIKey of 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is CHPFIPUNIKUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)11-14(21)18-9-5-13(6-10-18)20-15(22)17(3)7-4-8-19(17)16(20)23/h12-13H,4-11H2,1-3H3.
What are the key properties of 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 321.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 122135660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).