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

C16H22N4O3 — CID 72887851

IUPAC6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C16H22N4O3/c1-10-17-14-9-20(8-13(14)16(23)18(10)3)15(22)12-5-4-6-19(7-12)11(2)21/h12H,4-9H2,1-3H3
InChIKeySUPWNLVIXACKBS-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.19
Rot. Bonds1

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

6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72887851) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72887851
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C16H22N4O3/c1-10-17-14-9-20(8-13(14)16(23)18(10)3)15(22)12-5-4-6-19(7-12)11(2)21/h12H,4-9H2,1-3H3
InChIKeySUPWNLVIXACKBS-UHFFFAOYSA-N
XLogP0.19
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72887851) is 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is CC(=O)N1CCCC(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1.
What is the InChIKey of 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SUPWNLVIXACKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-17-14-9-20(8-13(14)16(23)18(10)3)15(22)12-5-4-6-19(7-12)11(2)21/h12H,4-9H2,1-3H3.
What are the key properties of 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetylpiperidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72887851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).