6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

C15H18N4O3 — CID 58354093

IUPAC6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1cc2cn(CC(=O)N3CCCC(=O)C3)c(=O)nc2[nH]1
InChIInChI=1S/C15H18N4O3/c1-2-11-6-10-7-19(15(22)17-14(10)16-11)9-13(21)18-5-3-4-12(20)8-18/h6-7H,2-5,8-9H2,1H3,(H,16,17,22)
InChIKeyKSHUVNBEMXBVIC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.48
Rot. Bonds3

About 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one

6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 58354093) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID58354093
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1cc2cn(CC(=O)N3CCCC(=O)C3)c(=O)nc2[nH]1
InChIInChI=1S/C15H18N4O3/c1-2-11-6-10-7-19(15(22)17-14(10)16-11)9-13(21)18-5-3-4-12(20)8-18/h6-7H,2-5,8-9H2,1H3,(H,16,17,22)
InChIKeyKSHUVNBEMXBVIC-UHFFFAOYSA-N
XLogP0.48
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 58354093) is 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is CCc1cc2cn(CC(=O)N3CCCC(=O)C3)c(=O)nc2[nH]1.
What is the InChIKey of 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is KSHUVNBEMXBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-11-6-10-7-19(15(22)17-14(10)16-11)9-13(21)18-5-3-4-12(20)8-18/h6-7H,2-5,8-9H2,1H3,(H,16,17,22).
What are the key properties of 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 302.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-oxo-2-(3-oxopiperidin-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 58354093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).