(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C18H31FN4O — CID 138645938

IUPAC(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1C(C2CCCCC2)NCC(F)C1N1CCN2C(=O)CC[C@H]2C1
InChIInChI=1S/C18H31FN4O/c19-14-10-21-17(12-4-2-1-3-5-12)16(20)18(14)22-8-9-23-13(11-22)6-7-15(23)24/h12-14,16-18,21H,1-11,20H2/t13-,14?,16?,17?,18?/m0/s1
InChIKeyGEDZQQJANYWQGG-RIHKDHQYSA-N
MW338.47 g/mol
LogP0.88
Rot. Bonds2

About (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 138645938) has the molecular formula C18H31FN4O and a molecular weight of 338.47 g/mol. Its IUPAC name is (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID138645938
Molecular FormulaC18H31FN4O
Molecular Weight338.47 g/mol
Exact Mass338.25
IUPAC Name(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1C(C2CCCCC2)NCC(F)C1N1CCN2C(=O)CC[C@H]2C1
InChIInChI=1S/C18H31FN4O/c19-14-10-21-17(12-4-2-1-3-5-12)16(20)18(14)22-8-9-23-13(11-22)6-7-15(23)24/h12-14,16-18,21H,1-11,20H2/t13-,14?,16?,17?,18?/m0/s1
InChIKeyGEDZQQJANYWQGG-RIHKDHQYSA-N
XLogP0.88
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diamino-2-(11-fluoro-9-azaspiro[5.8]tetradecan-8-yl)-N-[5-fluoro-4-[4-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 123224874
1-[1-(3-Amino-2-cyclohexyl-5-fluoropiperidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123623473
3,3-diamino-2-(11-fluoro-9-azaspiro[5.8]tetradecan-8-yl)-N-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)piperidin-3-yl]propanamide
CID 123764934
2-(3-Amino-5-fluoro-2-hexylpiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 124028242
3,3-diamino-2-(11-fluoro-9-azaspiro[5.7]tridecan-8-yl)-N-[5-fluoro-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)piperidin-3-yl]propanamide
CID 134321614
2-(5-Amino-3-cyclohexyl-3-fluoropiperidin-4-yl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 134321942
1-[[1-(3-Amino-1-cyclononyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 134340035
1-[[1-(5-Amino-2-cyclohexyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 138645347
N-[4-[1-(2,6-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 140651848
N-[4-[1-(2-fluorocyclohexanecarbonyl)piperidin-4-yl]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 140651849
N-[4-[1-(2,4-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 140651859
N-[4-[1-(5-fluoro-2-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 140651877

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 138645938) is (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NC1C(C2CCCCC2)NCC(F)C1N1CCN2C(=O)CC[C@H]2C1.
What is the InChIKey of (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is GEDZQQJANYWQGG-RIHKDHQYSA-N. The full InChI is InChI=1S/C18H31FN4O/c19-14-10-21-17(12-4-2-1-3-5-12)16(20)18(14)22-8-9-23-13(11-22)6-7-15(23)24/h12-14,16-18,21H,1-11,20H2/t13-,14?,16?,17?,18?/m0/s1.
What are the key properties of (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 338.47 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-(3-amino-2-cyclohexyl-5-fluoropiperidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 138645938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).