4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one

C14H23N3O3 — CID 154842383

IUPAC4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O
InChIInChI=1S/C14H23N3O3/c1-15-3-2-10(6-13(15)19)14(20)17-5-4-16-9-12(18)7-11(16)8-17/h10-12,18H,2-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyYUKZKSWUFBISGD-GLXQMMQGSA-N
MW281.36 g/mol
LogP-0.87
Rot. Bonds1

About 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one

4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one (PubChem CID 154842383) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
PubChem CID154842383
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O
InChIInChI=1S/C14H23N3O3/c1-15-3-2-10(6-13(15)19)14(20)17-5-4-16-9-12(18)7-11(16)8-17/h10-12,18H,2-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyYUKZKSWUFBISGD-GLXQMMQGSA-N
XLogP-0.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one with MolForge

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Related Compounds

3-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclopentan-1-one
CID 154842378
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736480
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736478
(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95143555
(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 97026341
(4S)-4-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 129490529
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
CID 122130954
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 136549408
(4R)-4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-methylpiperidin-2-one
CID 129349181
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489

Frequently Asked Questions

What is the IUPAC name of 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one (CID 154842383) is 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one is CN1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O.
What is the InChIKey of 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is YUKZKSWUFBISGD-GLXQMMQGSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15-3-2-10(6-13(15)19)14(20)17-5-4-16-9-12(18)7-11(16)8-17/h10-12,18H,2-9H2,1H3/t10?,11-,12+/m0/s1.
What are the key properties of 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one?
4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 281.36 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 154842383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).