2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

C13H23FN4O — CID 123557489

IUPAC2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNCC(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C13H23FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h9-11,13,16H,1-8,15H2
InChIKeyXWDWBLSFAFMJCJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP-0.68
Rot. Bonds1

About 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 123557489) has the molecular formula C13H23FN4O and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID123557489
Molecular FormulaC13H23FN4O
Molecular Weight270.35 g/mol
Exact Mass270.19
IUPAC Name2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNCC(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C13H23FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h9-11,13,16H,1-8,15H2
InChIKeyXWDWBLSFAFMJCJ-UHFFFAOYSA-N
XLogP-0.68
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

octahydro-1H-pyrido(1,2-a)pyrazin-6-one dihydrochloride
CID 165887635
3-(1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
CID 127595707
Hexahydro-1H-pyrido[1,2-a]pyrazin-6(2H)-one
CID 22562193
2-(3-Amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 123645954
2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 134321753
2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 134340070
2-(3-amino-1-cyclononyl-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 134340116
2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 134577911
[4-(3-Amino-5-fluoropiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-2-yl)methanone
CID 144642129
2-(3-amino-5-fluoro-1-pentylpiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 156092340
2-(5-amino-3-fluoro-3-propylpiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 156281019
2-(3-amino-4-cyclobutyl-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 156281030

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 123557489) is 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is NC1CNCC(F)C1N1CCN2C(=O)CCCC2C1.
What is the InChIKey of 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is XWDWBLSFAFMJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h9-11,13,16H,1-8,15H2.
What are the key properties of 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 270.35 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 123557489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).