2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide

C20H26N4O3 — CID 119557573

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCCC1CCCNC1
InChIInChI=1S/C20H26N4O3/c25-17(22-11-8-14-4-3-10-21-12-14)13-24-18(26)20(23-19(24)27)9-7-15-5-1-2-6-16(15)20/h1-2,5-6,14,21H,3-4,7-13H2,(H,22,25)(H,23,27)
InChIKeyVYBSOYDTEZZVIQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.89
Rot. Bonds5

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119557573) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119557573
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCCC1CCCNC1
InChIInChI=1S/C20H26N4O3/c25-17(22-11-8-14-4-3-10-21-12-14)13-24-18(26)20(23-19(24)27)9-7-15-5-1-2-6-16(15)20/h1-2,5-6,14,21H,3-4,7-13H2,(H,22,25)(H,23,27)
InChIKeyVYBSOYDTEZZVIQ-UHFFFAOYSA-N
XLogP0.89
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-(2-phenylethyl)acetamide
CID 18074180
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-phenylpropyl)acetamide
CID 4810193
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2505076
N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240473
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide (CID 119557573) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCCC1CCCNC1.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is VYBSOYDTEZZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-17(22-11-8-14-4-3-10-21-12-14)13-24-18(26)20(23-19(24)27)9-7-15-5-1-2-6-16(15)20/h1-2,5-6,14,21H,3-4,7-13H2,(H,22,25)(H,23,27).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119557573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).