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

C19H26N4O3 — CID 72873392

IUPAC6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(=O)C3CCC3)CC1)C2
InChIInChI=1S/C19H26N4O3/c1-12-20-16-11-23(10-15(16)19(26)21(12)2)18(25)14-6-8-22(9-7-14)17(24)13-4-3-5-13/h13-14H,3-11H2,1-2H3
InChIKeyDSOGMURKZZEZPS-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.97
Rot. Bonds2

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

6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72873392) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72873392
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(=O)C3CCC3)CC1)C2
InChIInChI=1S/C19H26N4O3/c1-12-20-16-11-23(10-15(16)19(26)21(12)2)18(25)14-6-8-22(9-7-14)17(24)13-4-3-5-13/h13-14H,3-11H2,1-2H3
InChIKeyDSOGMURKZZEZPS-UHFFFAOYSA-N
XLogP0.97
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72873392) is 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(=O)C3CCC3)CC1)C2.
What is the InChIKey of 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is DSOGMURKZZEZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-20-16-11-23(10-15(16)19(26)21(12)2)18(25)14-6-8-22(9-7-14)17(24)13-4-3-5-13/h13-14H,3-11H2,1-2H3.
What are the key properties of 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72873392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).