1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C27H31FN4O3 — CID 55860060

IUPAC1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)CC1
InChIInChI=1S/C27H31FN4O3/c28-23-8-4-3-6-20(23)10-14-29-24(33)21-11-15-31(16-12-21)18-32-25(34)27(30-26(32)35)13-9-19-5-1-2-7-22(19)17-27/h1-8,21H,9-18H2,(H,29,33)(H,30,35)
InChIKeyBCSBDQRFEZGLFI-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.63
Rot. Bonds6

About 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55860060) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55860060
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)CC1
InChIInChI=1S/C27H31FN4O3/c28-23-8-4-3-6-20(23)10-14-29-24(33)21-11-15-31(16-12-21)18-32-25(34)27(30-26(32)35)13-9-19-5-1-2-7-22(19)17-27/h1-8,21H,9-18H2,(H,29,33)(H,30,35)
InChIKeyBCSBDQRFEZGLFI-UHFFFAOYSA-N
XLogP2.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55860060) is 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)CC1.
What is the InChIKey of 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is BCSBDQRFEZGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c28-23-8-4-3-6-20(23)10-14-29-24(33)21-11-15-31(16-12-21)18-32-25(34)27(30-26(32)35)13-9-19-5-1-2-7-22(19)17-27/h1-8,21H,9-18H2,(H,29,33)(H,30,35).
What are the key properties of 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55860060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).