cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C18H23N3O — CID 163313837

About cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 163313837) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
• PubChem CID: 163313837
• Molecular Formula: C18H23N3O
• Molecular Weight: 297.40 g/mol
• Exact Mass: 297.18
• IUPAC Name: cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
• SMILES: Cc1ncc2c(n1)C1(CCCN(C(=O)C3CC=CC3)C1)CC2
• InChI: InChI=1S/C18H23N3O/c1-13-19-11-15-7-9-18(16(15)20-13)8-4-10-21(12-18)17(22)14-5-2-3-6-14/h2-3,11,14H,4-10,12H2,1H3
• InChIKey: LPDMLGUAXQXMIV-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 46.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.40
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?

The IUPAC name of cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 163313837) is cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

What is the SMILES notation for cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?

The canonical SMILES for cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is Cc1ncc2c(n1)C1(CCCN(C(=O)C3CC=CC3)C1)CC2.

What is the InChIKey of cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?

The InChIKey is LPDMLGUAXQXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-19-11-15-7-9-18(16(15)20-13)8-4-10-21(12-18)17(22)14-5-2-3-6-14/h2-3,11,14H,4-10,12H2,1H3.

What are the key properties of cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?

cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 163313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).