N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide

C28H39FN4O3 — CID 59827737

About N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide

N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide (PubChem CID 59827737) has the molecular formula C28H39FN4O3 and a molecular weight of 498.64 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide
• PubChem CID: 59827737
• Molecular Formula: C28H39FN4O3
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide
• SMILES: CC(C)N1C(=O)N(C)C(=O)C12CC1CCC(C2)N1CC[C@H](NC(=O)C1CCCC1)c1cccc(F)c1
• InChI: InChI=1S/C28H39FN4O3/c1-18(2)33-27(36)31(3)26(35)28(33)16-22-11-12-23(17-28)32(22)14-13-24(20-9-6-10-21(29)15-20)30-25(34)19-7-4-5-8-19/h6,9-10,15,18-19,22-24H,4-5,7-8,11-14,16-17H2,1-3H3,(H,30,34)/t22?,23?,24-,28?/m0/s1
• InChIKey: VIAPPMSSUQEIPH-GFEMTKQZSA-N
• XLogP: 4.23
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
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 N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide?

The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide (CID 59827737) is N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide?

The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide is CC(C)N1C(=O)N(C)C(=O)C12CC1CCC(C2)N1CC[C@H](NC(=O)C1CCCC1)c1cccc(F)c1.

What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide?

The InChIKey is VIAPPMSSUQEIPH-GFEMTKQZSA-N. The full InChI is InChI=1S/C28H39FN4O3/c1-18(2)33-27(36)31(3)26(35)28(33)16-22-11-12-23(17-28)32(22)14-13-24(20-9-6-10-21(29)15-20)30-25(34)19-7-4-5-8-19/h6,9-10,15,18-19,22-24H,4-5,7-8,11-14,16-17H2,1-3H3,(H,30,34)/t22?,23?,24-,28?/m0/s1.

What are the key properties of N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide?

N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide has a molecular weight of 498.64 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-fluorophenyl)-3-(1'-methyl-2',5'-dioxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 59827737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).