1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C17H23N5O4 — CID 90540738

IUPAC1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCn1nc(C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H23N5O4/c1-19-17(26)22(12-2-3-12)16(18-19)11-6-8-20(9-7-11)15(25)10-21-13(23)4-5-14(21)24/h11-12H,2-10H2,1H3
InChIKeyHJVMBCOXIOBZPB-UHFFFAOYSA-N
MW361.40 g/mol
LogP-0.23
Rot. Bonds4

About 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 90540738) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID90540738
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCn1nc(C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n(C2CC2)c1=O
InChIInChI=1S/C17H23N5O4/c1-19-17(26)22(12-2-3-12)16(18-19)11-6-8-20(9-7-11)15(25)10-21-13(23)4-5-14(21)24/h11-12H,2-10H2,1H3
InChIKeyHJVMBCOXIOBZPB-UHFFFAOYSA-N
XLogP-0.23
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 90540738) is 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cn1nc(C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n(C2CC2)c1=O.
What is the InChIKey of 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is HJVMBCOXIOBZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-19-17(26)22(12-2-3-12)16(18-19)11-6-8-20(9-7-11)15(25)10-21-13(23)4-5-14(21)24/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 361.40 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90540738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).