(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C19H25N3O3S — CID 7682588

IUPAC(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CCCCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1
InChIInChI=1S/C19H25N3O3S/c23-17(14-5-2-1-3-6-14)20-10-11-21-16(13-20)18(24)22(19(21)25)9-8-15-7-4-12-26-15/h4,7,12,14,16H,1-3,5-6,8-11,13H2/t16-/m1/s1
InChIKeyRUEHYEDKJPDLBJ-MRXNPFEDSA-N
MW375.49 g/mol
LogP2.35
Rot. Bonds4

About (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7682588) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7682588
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CCCCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1
InChIInChI=1S/C19H25N3O3S/c23-17(14-5-2-1-3-6-14)20-10-11-21-16(13-20)18(24)22(19(21)25)9-8-15-7-4-12-26-15/h4,7,12,14,16H,1-3,5-6,8-11,13H2/t16-/m1/s1
InChIKeyRUEHYEDKJPDLBJ-MRXNPFEDSA-N
XLogP2.35
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524222
(8aR)-7-(4-methoxybenzoyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682094
2-[7-(cyclohexanecarbonyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
CID 74700547
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25306030
7-(cyclopentanecarbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 74509233
2-(cyclohexanecarbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 73134658
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
(7S,9aR)-N-cyclohexyl-6,9-dioxo-7-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7156537
7-benzyl-2-(cyclohexanecarbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 73135129
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
(6R)-1-(cyclopentanecarbonyl)-4-methyl-6-[(4-thiophen-2-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92608405
1-(cyclopentanecarbonyl)-4-methyl-6-[(4-thiophen-2-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230007

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7682588) is (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C(C1CCCCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1.
What is the InChIKey of (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is RUEHYEDKJPDLBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-17(14-5-2-1-3-6-14)20-10-11-21-16(13-20)18(24)22(19(21)25)9-8-15-7-4-12-26-15/h4,7,12,14,16H,1-3,5-6,8-11,13H2/t16-/m1/s1.
What are the key properties of (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 375.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(cyclohexanecarbonyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).