4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C18H24N4O3 — CID 92607738

About 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92607738) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
• PubChem CID: 92607738
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
• SMILES: CN1C[C@@H](C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)CC1=O
• InChI: InChI=1S/C18H24N4O3/c1-20-10-13(8-17(20)24)18(25)21-6-2-4-12(11-21)14-9-16(23)19-15-5-3-7-22(14)15/h9,12-13H,2-8,10-11H2,1H3/t12-,13+/m1/s1
• InChIKey: UWZWPTCZMXVHQN-OLZOCXBDSA-N
• XLogP: 0.37
• TPSA: 75.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The IUPAC name of 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92607738) is 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

What is the SMILES notation for 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The canonical SMILES for 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is CN1C[C@@H](C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)CC1=O.

What is the InChIKey of 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The InChIKey is UWZWPTCZMXVHQN-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20-10-13(8-17(20)24)18(25)21-6-2-4-12(11-21)14-9-16(23)19-15-5-3-7-22(14)15/h9,12-13H,2-8,10-11H2,1H3/t12-,13+/m1/s1.

What are the key properties of 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92607738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).