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

C18H23N3O3 — CID 2877316

IUPAC1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C18H23N3O3/c19-17(23)14-7-9-20(10-8-14)15-12-16(22)21(18(15)24)11-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,23)
InChIKeyUPBDKZORZPPJRD-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.55
Rot. Bonds5

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

1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 2877316) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID2877316
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C18H23N3O3/c19-17(23)14-7-9-20(10-8-14)15-12-16(22)21(18(15)24)11-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,23)
InChIKeyUPBDKZORZPPJRD-UHFFFAOYSA-N
XLogP0.55
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.55
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 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (CID 2877316) is 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is UPBDKZORZPPJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-17(23)14-7-9-20(10-8-14)15-12-16(22)21(18(15)24)11-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,23).
What are the key properties of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2877316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).