7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C18H22N2O2 — CID 129181800

IUPAC7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCC[C@@H](c1ccccc1)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C18H22N2O2/c1-2-6-16(14-7-4-3-5-8-14)20-10-9-19-13-18(22)17(21)11-15(19)12-20/h3-5,7-8,11,13,16,22H,2,6,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCBQHXBBLGIKQLS-INIZCTEOSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds4

About 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129181800) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129181800
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCC[C@@H](c1ccccc1)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C18H22N2O2/c1-2-6-16(14-7-4-3-5-8-14)20-10-9-19-13-18(22)17(21)11-15(19)12-20/h3-5,7-8,11,13,16,22H,2,6,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCBQHXBBLGIKQLS-INIZCTEOSA-N
XLogP2.91
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129181800) is 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CCC[C@@H](c1ccccc1)N1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is CBQHXBBLGIKQLS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-6-16(14-7-4-3-5-8-14)20-10-9-19-13-18(22)17(21)11-15(19)12-20/h3-5,7-8,11,13,16,22H,2,6,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 298.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129181800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).