4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C19H26N4O3 — CID 92551138

IUPAC4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESC[C@@H](C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O
InChIInChI=1S/C19H26N4O3/c1-13(22-9-4-7-18(22)25)19(26)21-8-2-5-14(12-21)15-11-17(24)20-16-6-3-10-23(15)16/h11,13-14H,2-10,12H2,1H3/t13-,14+/m0/s1
InChIKeyUGABSZOTYLLOSO-UONOGXRCSA-N
MW358.44 g/mol
LogP0.91
Rot. Bonds3

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

4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92551138) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92551138
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESC[C@@H](C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O
InChIInChI=1S/C19H26N4O3/c1-13(22-9-4-7-18(22)25)19(26)21-8-2-5-14(12-21)15-11-17(24)20-16-6-3-10-23(15)16/h11,13-14H,2-10,12H2,1H3/t13-,14+/m0/s1
InChIKeyUGABSZOTYLLOSO-UONOGXRCSA-N
XLogP0.91
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92551138) is 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is C[C@@H](C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O.
What is the InChIKey of 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is UGABSZOTYLLOSO-UONOGXRCSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(22-9-4-7-18(22)25)19(26)21-8-2-5-14(12-21)15-11-17(24)20-16-6-3-10-23(15)16/h11,13-14H,2-10,12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92551138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).