1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione

C19H22N4O5 — CID 173218503

IUPAC1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione
SMILESO=C1CCCCN1c1cc(=O)[nH]c(N2C(=O)CCCC2=O)c1N1CCCC1=O
InChIInChI=1S/C19H22N4O5/c24-13-11-12(21-9-2-1-5-14(21)25)18(22-10-4-8-15(22)26)19(20-13)23-16(27)6-3-7-17(23)28/h11H,1-10H2,(H,20,24)
InChIKeyZRYNCKHEJUMGEY-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.06
Rot. Bonds3

About 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione

1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione (PubChem CID 173218503) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione
PubChem CID173218503
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione
SMILESO=C1CCCCN1c1cc(=O)[nH]c(N2C(=O)CCCC2=O)c1N1CCCC1=O
InChIInChI=1S/C19H22N4O5/c24-13-11-12(21-9-2-1-5-14(21)25)18(22-10-4-8-15(22)26)19(20-13)23-16(27)6-3-7-17(23)28/h11H,1-10H2,(H,20,24)
InChIKeyZRYNCKHEJUMGEY-UHFFFAOYSA-N
XLogP1.06
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione (CID 173218503) is 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione is O=C1CCCCN1c1cc(=O)[nH]c(N2C(=O)CCCC2=O)c1N1CCCC1=O.
What is the InChIKey of 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione?
The InChIKey is ZRYNCKHEJUMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c24-13-11-12(21-9-2-1-5-14(21)25)18(22-10-4-8-15(22)26)19(20-13)23-16(27)6-3-7-17(23)28/h11H,1-10H2,(H,20,24).
What are the key properties of 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione?
1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione has a molecular weight of 386.41 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 173218503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).