3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

C12H16Cl2N4O2 — CID 126850235

IUPAC3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ncccc2c(=O)n1C1CCNCC1
InChIInChI=1S/C12H14N4O2.2ClH/c17-11-9-2-1-5-14-10(9)15-12(18)16(11)8-3-6-13-7-4-8;;/h1-2,5,8,13H,3-4,6-7H2,(H,14,15,18);2*1H
InChIKeyGHFNKSLVGHICBG-UHFFFAOYSA-N
MW319.19 g/mol
LogP0.85
Rot. Bonds1

About 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (PubChem CID 126850235) has the molecular formula C12H16Cl2N4O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
PubChem CID126850235
Molecular FormulaC12H16Cl2N4O2
Molecular Weight319.19 g/mol
Exact Mass318.07
IUPAC Name3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ncccc2c(=O)n1C1CCNCC1
InChIInChI=1S/C12H14N4O2.2ClH/c17-11-9-2-1-5-14-10(9)15-12(18)16(11)8-3-6-13-7-4-8;;/h1-2,5,8,13H,3-4,6-7H2,(H,14,15,18);2*1H
InChIKeyGHFNKSLVGHICBG-UHFFFAOYSA-N
XLogP0.85
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20751414
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CID 170742162
3-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119104594
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
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3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 121021774
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 154878953
3-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119104615
3-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 162053405
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (CID 126850235) is 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is Cl.Cl.O=c1[nH]c2ncccc2c(=O)n1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is GHFNKSLVGHICBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.2ClH/c17-11-9-2-1-5-14-10(9)15-12(18)16(11)8-3-6-13-7-4-8;;/h1-2,5,8,13H,3-4,6-7H2,(H,14,15,18);2*1H.
What are the key properties of 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 319.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 126850235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).