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

C16H22N4O3 — CID 97198254

IUPAC6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCC[C@H](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/t12-/m0/s1
InChIKeySUPWNLVIXACKBS-LBPRGKRZSA-N
MW318.38 g/mol
LogP0.19
Rot. Bonds1

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

6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 97198254) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID97198254
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCC[C@H](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/t12-/m0/s1
InChIKeySUPWNLVIXACKBS-LBPRGKRZSA-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

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

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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 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 97198254) is 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is CC(=O)N1CCC[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1.
What is the InChIKey of 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SUPWNLVIXACKBS-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of 6-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[(3S)-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-[(3S)-1-acetylpiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 97198254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).