3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)

C16H18F6N4O5 — CID 131727241

IUPAC3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1Nc2ccncc2CN1C1CCNCC1
InChIInChI=1S/C12H16N4O.2C2HF3O2/c17-12-15-11-3-6-14-7-9(11)8-16(12)10-1-4-13-5-2-10;2*3-2(4,5)1(6)7/h3,6-7,10,13H,1-2,4-5,8H2,(H,15,17);2*(H,6,7)
InChIKeyACFKHTZNWMBPLS-UHFFFAOYSA-N
MW460.33 g/mol
LogP2.45
Rot. Bonds1

About 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)

3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 131727241) has the molecular formula C16H18F6N4O5 and a molecular weight of 460.33 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID131727241
Molecular FormulaC16H18F6N4O5
Molecular Weight460.33 g/mol
Exact Mass460.12
IUPAC Name3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1Nc2ccncc2CN1C1CCNCC1
InChIInChI=1S/C12H16N4O.2C2HF3O2/c17-12-15-11-3-6-14-7-9(11)8-16(12)10-1-4-13-5-2-10;2*3-2(4,5)1(6)7/h3,6-7,10,13H,1-2,4-5,8H2,(H,15,17);2*(H,6,7)
InChIKeyACFKHTZNWMBPLS-UHFFFAOYSA-N
XLogP2.45
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

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4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde
CID 22945751
1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
CID 135145004
8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
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3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
4-piperidin-4-yl-1,4-benzoxazin-3-one;2,2,2-trifluoroacetic acid
CID 22380580
[2-oxo-2-(4-piperidin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 71055689
3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxylic acid;hydrochloride
CID 140691699
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
CID 59731888
tert-butyl N-[1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(1-piperidin-4-ylpiperidin-1-ium-1-yl)butan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) (CID 131727241) is 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1Nc2ccncc2CN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ACFKHTZNWMBPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.2C2HF3O2/c17-12-15-11-3-6-14-7-9(11)8-16(12)10-1-4-13-5-2-10;2*3-2(4,5)1(6)7/h3,6-7,10,13H,1-2,4-5,8H2,(H,15,17);2*(H,6,7).
What are the key properties of 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)?
3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 460.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 131727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).