2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine

C26H38N6O3 — CID 56658522

IUPAC2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
SMILESCC[C@@H](C)[C@H](C(=O)N1CCC2(CCc3ccccc32)CC1)N1C(=O)N[C@H](CCCN=C(N)N)C1=O
InChIInChI=1S/C26H38N6O3/c1-3-17(2)21(32-22(33)20(30-25(32)35)9-6-14-29-24(27)28)23(34)31-15-12-26(13-16-31)11-10-18-7-4-5-8-19(18)26/h4-5,7-8,17,20-21H,3,6,9-16H2,1-2H3,(H,30,35)(H4,27,28,29)/t17-,20-,21-/m1/s1
InChIKeyLILZPTSNASXJOE-DUXKGJEZSA-N
MW482.63 g/mol
LogP1.88
Rot. Bonds8

About 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine

2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine (PubChem CID 56658522) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
PubChem CID56658522
Molecular FormulaC26H38N6O3
Molecular Weight482.63 g/mol
Exact Mass482.30
IUPAC Name2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
SMILESCC[C@@H](C)[C@H](C(=O)N1CCC2(CCc3ccccc32)CC1)N1C(=O)N[C@H](CCCN=C(N)N)C1=O
InChIInChI=1S/C26H38N6O3/c1-3-17(2)21(32-22(33)20(30-25(32)35)9-6-14-29-24(27)28)23(34)31-15-12-26(13-16-31)11-10-18-7-4-5-8-19(18)26/h4-5,7-8,17,20-21H,3,6,9-16H2,1-2H3,(H,30,35)(H4,27,28,29)/t17-,20-,21-/m1/s1
InChIKeyLILZPTSNASXJOE-DUXKGJEZSA-N
XLogP1.88
TPSA134.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[1-(3-cyclohexyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-2-yl)-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
CID 74990008
2-[3-[4-hydroxy-2-oxo-3-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-1H-imidazol-5-yl]propyl]guanidine
CID 91934567
2-[3-[4-hydroxy-2-oxo-3-(1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl)-1H-imidazol-5-yl]propyl]guanidine
CID 91934571
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804
2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine
CID 91934583
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxy-3-methylpentanamide
CID 16718474
N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 126442712
[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 154819244
(4R,7S,10S)-10-butan-2-yl-7-[3-(diaminomethylideneamino)propyl]-6,9,12-trioxo-2-thia-5,8,11-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-4-carboxamide
CID 102011202
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
CID 67769577

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine?
The IUPAC name of 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine (CID 56658522) is 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine is CC[C@@H](C)[C@H](C(=O)N1CCC2(CCc3ccccc32)CC1)N1C(=O)N[C@H](CCCN=C(N)N)C1=O.
What is the InChIKey of 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine?
The InChIKey is LILZPTSNASXJOE-DUXKGJEZSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-3-17(2)21(32-22(33)20(30-25(32)35)9-6-14-29-24(27)28)23(34)31-15-12-26(13-16-31)11-10-18-7-4-5-8-19(18)26/h4-5,7-8,17,20-21H,3,6,9-16H2,1-2H3,(H,30,35)(H4,27,28,29)/t17-,20-,21-/m1/s1.
What are the key properties of 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine?
2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine has a molecular weight of 482.63 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4R)-1-[(2R,3R)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine is sourced from PubChem (CID 56658522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).