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

C18H24N4O3 — CID 92607741

IUPAC4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)CC1=O
InChIInChI=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+/m0/s1
InChIKeyUWZWPTCZMXVHQN-QWHCGFSZSA-N
MW344.42 g/mol
LogP0.37
Rot. Bonds2

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

4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92607741) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92607741
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)CC1=O
InChIInChI=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+/m0/s1
InChIKeyUWZWPTCZMXVHQN-QWHCGFSZSA-N
XLogP0.37
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
4-[(3R)-1-[(3S)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567657
4-[(3S)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567131
4-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92566228
4-[(3R)-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92563708
4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92588150
4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92578288
4-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217907
4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217869
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
4-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92568114
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(3R)-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-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92607741) is 4-[(3S)-1-[(3R)-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-[(3S)-1-[(3R)-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-[(3S)-1-[(3R)-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-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is UWZWPTCZMXVHQN-QWHCGFSZSA-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+/m0/s1.
What are the key properties of 4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[(3S)-1-[(3R)-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-[(3S)-1-[(3R)-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 92607741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).