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

C17H24N4O4 — CID 97194444

IUPAC6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C17H24N4O4/c1-11-18-14-9-21(8-13(14)17(24)19(11)2)16(23)12-5-4-6-20(7-12)15(22)10-25-3/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyGONSYSGGXMAPPF-LBPRGKRZSA-N
MW348.40 g/mol
LogP-0.18
Rot. Bonds3

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

6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 97194444) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID97194444
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1
InChIInChI=1S/C17H24N4O4/c1-11-18-14-9-21(8-13(14)17(24)19(11)2)16(23)12-5-4-6-20(7-12)15(22)10-25-3/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyGONSYSGGXMAPPF-LBPRGKRZSA-N
XLogP-0.18
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
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
2,3-Dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72868898
6-{[1-(methoxyacetyl)-3-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72872223
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72884782
6-[(1-ethyl-3-methyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72892142
2,3-dimethyl-6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920554
6-[(1-isopropyl-4-piperidinyl)acetyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72924319
6-[(3R)-1-ethyl-6-oxopiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97138200
6-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97138201

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 97194444) is 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is COCC(=O)N1CCC[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1.
What is the InChIKey of 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is GONSYSGGXMAPPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-18-14-9-21(8-13(14)17(24)19(11)2)16(23)12-5-4-6-20(7-12)15(22)10-25-3/h12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 348.40 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 97194444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).