3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H22N4O3 — CID 95724887

IUPAC3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)C[C@]1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyYCPZXKMTKVKYIR-QGZVFWFLSA-N
MW330.39 g/mol
LogP0.22
Rot. Bonds3

About 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95724887) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95724887
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)C[C@]1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyYCPZXKMTKVKYIR-QGZVFWFLSA-N
XLogP0.22
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 95724887) is 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CN(C)C[C@]1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YCPZXKMTKVKYIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95724887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).