4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione

C19H24N2O4 — CID 158614396

IUPAC4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione
SMILESCC(C)C(CC(=O)Cc1ccncc1)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C19H24N2O4/c1-12(2)16(11-15(22)9-13-3-6-20-7-4-13)17(23)10-14-5-8-21-19(25)18(14)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25)
InChIKeyHXFFRXLRPWJQJK-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.52
Rot. Bonds8

About 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione

4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione (PubChem CID 158614396) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione.

Molecular Properties

Compound Name4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione
PubChem CID158614396
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione
SMILESCC(C)C(CC(=O)Cc1ccncc1)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C19H24N2O4/c1-12(2)16(11-15(22)9-13-3-6-20-7-4-13)17(23)10-14-5-8-21-19(25)18(14)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25)
InChIKeyHXFFRXLRPWJQJK-UHFFFAOYSA-N
XLogP1.52
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione?
The IUPAC name of 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione (CID 158614396) is 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione.
What is the SMILES notation for 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione?
The canonical SMILES for 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione is CC(C)C(CC(=O)Cc1ccncc1)C(=O)CC1CCNC(=O)C1=O.
What is the InChIKey of 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione?
The InChIKey is HXFFRXLRPWJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)16(11-15(22)9-13-3-6-20-7-4-13)17(23)10-14-5-8-21-19(25)18(14)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25).
What are the key properties of 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione?
4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione has a molecular weight of 344.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione is sourced from PubChem (CID 158614396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).