2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C13H19N3O3 — CID 78827345

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C(CN1C(=O)C2CCCN2C1=O)N1CCCCC1
InChIInChI=1S/C13H19N3O3/c17-11(14-6-2-1-3-7-14)9-16-12(18)10-5-4-8-15(10)13(16)19/h10H,1-9H2
InChIKeyVSPOQGVVFSSZAE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 78827345) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID78827345
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C(CN1C(=O)C2CCCN2C1=O)N1CCCCC1
InChIInChI=1S/C13H19N3O3/c17-11(14-6-2-1-3-7-14)9-16-12(18)10-5-4-8-15(10)13(16)19/h10H,1-9H2
InChIKeyVSPOQGVVFSSZAE-UHFFFAOYSA-N
XLogP0.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6aS)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 7442534
3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022365
4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 53200592
(7aR)-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 27941969
(1R,2R,6R,7R)-4-(2-oxo-2-piperidin-1-ylethyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 129450199
(6aS)-5-(2-oxo-2-piperidin-1-ylethyl)-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one
CID 93059828
2-(3-bromopropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10801355
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 171989374
N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 42923571
(1S,2R,6R,7S)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124715198
(6aS)-N,N-dimethyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 93059818
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 78827345) is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C(CN1C(=O)C2CCCN2C1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is VSPOQGVVFSSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11(14-6-2-1-3-7-14)9-16-12(18)10-5-4-8-15(10)13(16)19/h10H,1-9H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 78827345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).