1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C22H24N4O3 — CID 163345225

IUPAC1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-19-5-6-20(28)26(19)13-21(29)25-9-7-15(8-10-25)18-4-3-16-11-17(14-1-2-14)12-23-22(16)24-18/h3-4,11-12,14-15H,1-2,5-10,13H2
InChIKeyNPONSBXMPKXVEN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 163345225) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID163345225
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-19-5-6-20(28)26(19)13-21(29)25-9-7-15(8-10-25)18-4-3-16-11-17(14-1-2-14)12-23-22(16)24-18/h3-4,11-12,14-15H,1-2,5-10,13H2
InChIKeyNPONSBXMPKXVEN-UHFFFAOYSA-N
XLogP2.36
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
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-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 163345225) is 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1.
What is the InChIKey of 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NPONSBXMPKXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-19-5-6-20(28)26(19)13-21(29)25-9-7-15(8-10-25)18-4-3-16-11-17(14-1-2-14)12-23-22(16)24-18/h3-4,11-12,14-15H,1-2,5-10,13H2.
What are the key properties of 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 392.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 163345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).