8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H35N3O2 — CID 31979321

IUPAC8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C1CCCC1)C1CC1)C2=O
InChIInChI=1S/C21H35N3O2/c1-20(2,3)15-10-12-21(13-11-15)18(25)24(19(26)22-21)14-23(17-8-9-17)16-6-4-5-7-16/h15-17H,4-14H2,1-3H3,(H,22,26)
InChIKeyMWKSPBWNVBVQHZ-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.88
Rot. Bonds4

About 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 31979321) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID31979321
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C1CCCC1)C1CC1)C2=O
InChIInChI=1S/C21H35N3O2/c1-20(2,3)15-10-12-21(13-11-15)18(25)24(19(26)22-21)14-23(17-8-9-17)16-6-4-5-7-16/h15-17H,4-14H2,1-3H3,(H,22,26)
InChIKeyMWKSPBWNVBVQHZ-UHFFFAOYSA-N
XLogP3.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.88
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

8-tert-butyl-3-[[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18142259
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
8-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51138966
3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55860944
8-tert-butyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18125988
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119434910
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120863381
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
8-tert-butyl-3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30958872
(4-nitrophenyl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9011182
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120820292

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 31979321) is 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C1CCCC1)C1CC1)C2=O.
What is the InChIKey of 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MWKSPBWNVBVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-20(2,3)15-10-12-21(13-11-15)18(25)24(19(26)22-21)14-23(17-8-9-17)16-6-4-5-7-16/h15-17H,4-14H2,1-3H3,(H,22,26).
What are the key properties of 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 361.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[[cyclopentyl(cyclopropyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 31979321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).