3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide

C16H19N3O3 — CID 895859

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C16H19N3O3/c17-16(22)11-4-5-12(18-8-2-1-3-9-18)13(10-11)19-14(20)6-7-15(19)21/h4-5,10H,1-3,6-9H2,(H2,17,22)
InChIKeyTWIKNIXKKRPUQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.43
Rot. Bonds3

About 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide

3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide (PubChem CID 895859) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide
PubChem CID895859
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C16H19N3O3/c17-16(22)11-4-5-12(18-8-2-1-3-9-18)13(10-11)19-14(20)6-7-15(19)21/h4-5,10H,1-3,6-9H2,(H2,17,22)
InChIKeyTWIKNIXKKRPUQN-UHFFFAOYSA-N
XLogP1.43
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide (CID 895859) is 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide?
The InChIKey is TWIKNIXKKRPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-16(22)11-4-5-12(18-8-2-1-3-9-18)13(10-11)19-14(20)6-7-15(19)21/h4-5,10H,1-3,6-9H2,(H2,17,22).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide?
3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 895859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).