2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide

C14H22N4O3 — CID 91911335

IUPAC2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide
SMILESCCN1C(=O)C2CC3(CCN(C(=O)NC)CC3)CN2C1=O
InChIInChI=1S/C14H22N4O3/c1-3-17-11(19)10-8-14(9-18(10)13(17)21)4-6-16(7-5-14)12(20)15-2/h10H,3-9H2,1-2H3,(H,15,20)
InChIKeyVSJYWDHXCJUMAO-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.46
Rot. Bonds1

About 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide

2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide (PubChem CID 91911335) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide
PubChem CID91911335
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide
SMILESCCN1C(=O)C2CC3(CCN(C(=O)NC)CC3)CN2C1=O
InChIInChI=1S/C14H22N4O3/c1-3-17-11(19)10-8-14(9-18(10)13(17)21)4-6-16(7-5-14)12(20)15-2/h10H,3-9H2,1-2H3,(H,15,20)
InChIKeyVSJYWDHXCJUMAO-UHFFFAOYSA-N
XLogP0.46
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide (CID 91911335) is 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide is CCN1C(=O)C2CC3(CCN(C(=O)NC)CC3)CN2C1=O.
What is the InChIKey of 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide?
The InChIKey is VSJYWDHXCJUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-17-11(19)10-8-14(9-18(10)13(17)21)4-6-16(7-5-14)12(20)15-2/h10H,3-9H2,1-2H3,(H,15,20).
What are the key properties of 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide?
2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1,3-dioxospiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 91911335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).