7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H21FN4O2 — CID 136907857

IUPAC7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1F)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C19H21FN4O2/c20-15-7-3-2-6-13(15)18(26)24-11-8-14-16(12-24)21-19(22-17(14)25)23-9-4-1-5-10-23/h2-3,6-7H,1,4-5,8-12H2,(H,21,22,25)
InChIKeyKBQOPVXIPMCODD-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.10
Rot. Bonds2

About 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136907857) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136907857
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1F)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C19H21FN4O2/c20-15-7-3-2-6-13(15)18(26)24-11-8-14-16(12-24)21-19(22-17(14)25)23-9-4-1-5-10-23/h2-3,6-7H,1,4-5,8-12H2,(H,21,22,25)
InChIKeyKBQOPVXIPMCODD-UHFFFAOYSA-N
XLogP2.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136907857) is 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1ccccc1F)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KBQOPVXIPMCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-7-3-2-6-13(15)18(26)24-11-8-14-16(12-24)21-19(22-17(14)25)23-9-4-1-5-10-23/h2-3,6-7H,1,4-5,8-12H2,(H,21,22,25).
What are the key properties of 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 356.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorobenzoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136907857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).