2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C17H20N6O2 — CID 164640811

IUPAC2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)c1noc([C@H]2CCCN(c3cc(=O)n4ccccc4n3)C2)n1
InChIInChI=1S/C17H20N6O2/c1-21(2)17-19-16(25-20-17)12-6-5-8-22(11-12)14-10-15(24)23-9-4-3-7-13(23)18-14/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3/t12-/m0/s1
InChIKeyAAZCHADTYPXTPJ-LBPRGKRZSA-N
MW340.39 g/mol
LogP1.53
Rot. Bonds3

About 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 164640811) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID164640811
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)c1noc([C@H]2CCCN(c3cc(=O)n4ccccc4n3)C2)n1
InChIInChI=1S/C17H20N6O2/c1-21(2)17-19-16(25-20-17)12-6-5-8-22(11-12)14-10-15(24)23-9-4-3-7-13(23)18-14/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3/t12-/m0/s1
InChIKeyAAZCHADTYPXTPJ-LBPRGKRZSA-N
XLogP1.53
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 164640811) is 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CN(C)c1noc([C@H]2CCCN(c3cc(=O)n4ccccc4n3)C2)n1.
What is the InChIKey of 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AAZCHADTYPXTPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21(2)17-19-16(25-20-17)12-6-5-8-22(11-12)14-10-15(24)23-9-4-3-7-13(23)18-14/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164640811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).