4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide

C19H25N5O4 — CID 143183805

About 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide

4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide (PubChem CID 143183805) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 143183805
• Molecular Formula: C19H25N5O4
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.19
• IUPAC Name: 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
• SMILES: C=CC1=C(/C=C\C)CN(CC2(C3CCN(C(N)=O)CC3)NC(=O)NC2=O)C1=O
• InChI: InChI=1S/C19H25N5O4/c1-3-5-12-10-24(15(25)14(12)4-2)11-19(16(26)21-18(28)22-19)13-6-8-23(9-7-13)17(20)27/h3-5,13H,2,6-11H2,1H3,(H2,20,27)(H2,21,22,26,28)/b5-3-
• InChIKey: SMPBJKOYEBIMOE-HYXAFXHYSA-N
• XLogP: 0.26
• TPSA: 124.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?

The IUPAC name of 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide (CID 143183805) is 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide is C=CC1=C(/C=C\C)CN(CC2(C3CCN(C(N)=O)CC3)NC(=O)NC2=O)C1=O.

What is the InChIKey of 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?

The InChIKey is SMPBJKOYEBIMOE-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-3-5-12-10-24(15(25)14(12)4-2)11-19(16(26)21-18(28)22-19)13-6-8-23(9-7-13)17(20)27/h3-5,13H,2,6-11H2,1H3,(H2,20,27)(H2,21,22,26,28)/b5-3-.

What are the key properties of 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide?

4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 143183805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).