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

C18H31FN4O — CID 134321753

IUPAC2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNC(C2CCCC2)C(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C18H31FN4O/c19-16-17(12-4-1-2-5-12)21-10-14(20)18(16)22-8-9-23-13(11-22)6-3-7-15(23)24/h12-14,16-18,21H,1-11,20H2
InChIKeyZJQNSXYNHAOYOX-UHFFFAOYSA-N
MW338.47 g/mol
LogP0.88
Rot. Bonds2

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

2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 134321753) has the molecular formula C18H31FN4O and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID134321753
Molecular FormulaC18H31FN4O
Molecular Weight338.47 g/mol
Exact Mass338.25
IUPAC Name2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNC(C2CCCC2)C(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C18H31FN4O/c19-16-17(12-4-1-2-5-12)21-10-14(20)18(16)22-8-9-23-13(11-22)6-3-7-15(23)24/h12-14,16-18,21H,1-11,20H2
InChIKeyZJQNSXYNHAOYOX-UHFFFAOYSA-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 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 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) is 2-(5-amino-2-cyclopentyl-3-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-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is NC1CNC(C2CCCC2)C(F)C1N1CCN2C(=O)CCCC2C1.
What is the InChIKey of 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is ZJQNSXYNHAOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4O/c19-16-17(12-4-1-2-5-12)21-10-14(20)18(16)22-8-9-23-13(11-22)6-3-7-15(23)24/h12-14,16-18,21H,1-11,20H2.
What are the key properties of 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[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 2-(5-amino-2-cyclopentyl-3-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 134321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).