3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride

C12H15ClN4O — CID 154878953

IUPAC3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c2cccnc2ncn1C1CCNCC1
InChIInChI=1S/C12H14N4O.ClH/c17-12-10-2-1-5-14-11(10)15-8-16(12)9-3-6-13-7-4-9;/h1-2,5,8-9,13H,3-4,6-7H2;1H
InChIKeyNKQXEUFJPMGXHP-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.14
Rot. Bonds1

About 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride

3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 154878953) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID154878953
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c2cccnc2ncn1C1CCNCC1
InChIInChI=1S/C12H14N4O.ClH/c17-12-10-2-1-5-14-11(10)15-8-16(12)9-3-6-13-7-4-9;/h1-2,5,8-9,13H,3-4,6-7H2;1H
InChIKeyNKQXEUFJPMGXHP-UHFFFAOYSA-N
XLogP1.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 121021761
3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 121021733
3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 126850235
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 119104587
3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 121193570
3-cyclobutylquinazolin-4-one
CID 171781936
1-cyclopentylimidazo[4,5-b]pyridine
CID 121218930
6-phenyl-3-[(3S)-pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 154909653
3-(azetidin-3-yl)-8-methylquinazolin-4-one
CID 117264577
2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 77398088
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride (CID 154878953) is 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride is Cl.O=c1c2cccnc2ncn1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is NKQXEUFJPMGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c17-12-10-2-1-5-14-11(10)15-8-16(12)9-3-6-13-7-4-9;/h1-2,5,8-9,13H,3-4,6-7H2;1H.
What are the key properties of 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride?
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 154878953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).