3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C19H26N4O3 — CID 72850484

IUPAC3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@H](CO)C[C@H](CN(C)C)C3)c(=O)n12
InChIInChI=1S/C19H26N4O3/c1-13-5-4-6-17-20-8-16(19(26)23(13)17)18(25)22-10-14(9-21(2)3)7-15(11-22)12-24/h4-6,8,14-15,24H,7,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyYYBVPTVOLXQMNG-HUUCEWRRSA-N
MW358.44 g/mol
LogP0.64
Rot. Bonds4

About 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 72850484) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID72850484
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@H](CO)C[C@H](CN(C)C)C3)c(=O)n12
InChIInChI=1S/C19H26N4O3/c1-13-5-4-6-17-20-8-16(19(26)23(13)17)18(25)22-10-14(9-21(2)3)7-15(11-22)12-24/h4-6,8,14-15,24H,7,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyYYBVPTVOLXQMNG-HUUCEWRRSA-N
XLogP0.64
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 72850484) is 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3C[C@H](CO)C[C@H](CN(C)C)C3)c(=O)n12.
What is the InChIKey of 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YYBVPTVOLXQMNG-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-5-4-6-17-20-8-16(19(26)23(13)17)18(25)22-10-14(9-21(2)3)7-15(11-22)12-24/h4-6,8,14-15,24H,7,9-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72850484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).