6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C18H19N5O3 — CID 137268017

IUPAC6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)C2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H19N5O3/c1-26-13-4-2-11(3-5-13)15(24)12-6-8-23(9-7-12)18-20-16-14(10-19-22-16)17(25)21-18/h2-5,10,12H,6-9H2,1H3,(H2,19,20,21,22,25)
InChIKeyBGKOEWTVJQNABQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.75
Rot. Bonds4

About 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137268017) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137268017
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)C2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H19N5O3/c1-26-13-4-2-11(3-5-13)15(24)12-6-8-23(9-7-12)18-20-16-14(10-19-22-16)17(25)21-18/h2-5,10,12H,6-9H2,1H3,(H2,19,20,21,22,25)
InChIKeyBGKOEWTVJQNABQ-UHFFFAOYSA-N
XLogP1.75
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137268120
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 173184334
4-[[1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid
CID 135476250
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
2-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methylpentyl]-3H-quinazolin-4-one
CID 137239825
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25493886
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135532108
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
CID 71227412

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137268017) is 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(C(=O)C2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BGKOEWTVJQNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-13-4-2-11(3-5-13)15(24)12-6-8-23(9-7-12)18-20-16-14(10-19-22-16)17(25)21-18/h2-5,10,12H,6-9H2,1H3,(H2,19,20,21,22,25).
What are the key properties of 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137268017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).