2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C17H24N4O3 — CID 72868898

IUPAC2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C17H24N4O3/c1-4-15(22)20-7-5-6-12(8-20)16(23)21-9-13-14(10-21)18-11(2)19(3)17(13)24/h12H,4-10H2,1-3H3
InChIKeyHGWQLZBYIHQTPL-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.58
Rot. Bonds2

About 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72868898) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72868898
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C17H24N4O3/c1-4-15(22)20-7-5-6-12(8-20)16(23)21-9-13-14(10-21)18-11(2)19(3)17(13)24/h12H,4-10H2,1-3H3
InChIKeyHGWQLZBYIHQTPL-UHFFFAOYSA-N
XLogP0.58
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinyl}acetamide
CID 70756625
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinecarboxamide
CID 72851702
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-N,N-dimethyl-1-piperidinecarboxamide
CID 72870896
6-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873392
6-[(1-acetyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72887851
6-[(1-cyclopentyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72908888
2-methyl-6-[3-(1-methyl-3-piperidinyl)propanoyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136216733
2,3-dimethyl-6-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72871662
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
5-Propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
CID 10824393
6-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70756341
6-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72848870

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72868898) is 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is CCC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1.
What is the InChIKey of 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is HGWQLZBYIHQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-15(22)20-7-5-6-12(8-20)16(23)21-9-13-14(10-21)18-11(2)19(3)17(13)24/h12H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 332.40 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72868898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).