3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C24H25N3O3 — CID 166186603

IUPAC3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C(c1cccc(CN2C(=O)NC3(CCc4ccccc43)C2=O)c1)N1CCCCC1
InChIInChI=1S/C24H25N3O3/c28-21(26-13-4-1-5-14-26)19-9-6-7-17(15-19)16-27-22(29)24(25-23(27)30)12-11-18-8-2-3-10-20(18)24/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,25,30)
InChIKeyKDODJHJLEURTEW-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.21
Rot. Bonds3

About 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 166186603) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID166186603
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C(c1cccc(CN2C(=O)NC3(CCc4ccccc43)C2=O)c1)N1CCCCC1
InChIInChI=1S/C24H25N3O3/c28-21(26-13-4-1-5-14-26)19-9-6-7-17(15-19)16-27-22(29)24(25-23(27)30)12-11-18-8-2-3-10-20(18)24/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,25,30)
InChIKeyKDODJHJLEURTEW-UHFFFAOYSA-N
XLogP3.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
(3S)-3'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
(4S)-3'-[(3,4-dichlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2102939
(3S)-3'-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 26624665
(5R)-3'-[(3-nitrophenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40897486

Frequently Asked Questions

What is the IUPAC name of 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 166186603) is 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C(c1cccc(CN2C(=O)NC3(CCc4ccccc43)C2=O)c1)N1CCCCC1.
What is the InChIKey of 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is KDODJHJLEURTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-21(26-13-4-1-5-14-26)19-9-6-7-17(15-19)16-27-22(29)24(25-23(27)30)12-11-18-8-2-3-10-20(18)24/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,25,30).
What are the key properties of 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 403.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 166186603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).