1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

C15H19N3O3S — CID 2980621

IUPAC1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(Cc3cccs3)C2=O)CC1
InChIInChI=1S/C15H19N3O3S/c16-14(20)10-3-5-17(6-4-10)12-8-13(19)18(15(12)21)9-11-2-1-7-22-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,20)
InChIKeyHASOUSDLYGRKBC-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.57
Rot. Bonds4

About 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 2980621) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID2980621
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(Cc3cccs3)C2=O)CC1
InChIInChI=1S/C15H19N3O3S/c16-14(20)10-3-5-17(6-4-10)12-8-13(19)18(15(12)21)9-11-2-1-7-22-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,20)
InChIKeyHASOUSDLYGRKBC-UHFFFAOYSA-N
XLogP0.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.57
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-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (CID 2980621) is 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CC(=O)N(Cc3cccs3)C2=O)CC1.
What is the InChIKey of 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is HASOUSDLYGRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-14(20)10-3-5-17(6-4-10)12-8-13(19)18(15(12)21)9-11-2-1-7-22-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,20).
What are the key properties of 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2980621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).