1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide

C16H20N4O2 — CID 8546022

IUPAC1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cccc2nc(CN3CCC(C(N)=O)CC3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22)
InChIKeyGBOKCNSHNUZLEU-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.70
Rot. Bonds3

About 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide

1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 8546022) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID8546022
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cccc2nc(CN3CCC(C(N)=O)CC3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22)
InChIKeyGBOKCNSHNUZLEU-UHFFFAOYSA-N
XLogP0.70
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide (CID 8546022) is 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide is Cc1cccc2nc(CN3CCC(C(N)=O)CC3)cc(=O)n12.
What is the InChIKey of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GBOKCNSHNUZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22).
What are the key properties of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 8546022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).