3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C24H36N4O2 — CID 9172288

IUPAC3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)c1ccc(CN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1
InChIInChI=1S/C24H36N4O2/c1-19(2)21-9-7-20(8-10-21)17-26-13-15-27(16-14-26)18-28-22(29)24(25-23(28)30)11-5-3-4-6-12-24/h7-10,19H,3-6,11-18H2,1-2H3,(H,25,30)
InChIKeyGRLSEMGTFDJYSN-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.53
Rot. Bonds5

About 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 9172288) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID9172288
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)c1ccc(CN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1
InChIInChI=1S/C24H36N4O2/c1-19(2)21-9-7-20(8-10-21)17-26-13-15-27(16-14-26)18-28-22(29)24(25-23(28)30)11-5-3-4-6-12-24/h7-10,19H,3-6,11-18H2,1-2H3,(H,25,30)
InChIKeyGRLSEMGTFDJYSN-UHFFFAOYSA-N
XLogP3.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172286
(5S,6R)-6-methyl-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172299
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9171228
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
8-tert-butyl-3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30958872
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
(3aR,7aS)-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9172331
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9242043

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 9172288) is 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC(C)c1ccc(CN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1.
What is the InChIKey of 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is GRLSEMGTFDJYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-19(2)21-9-7-20(8-10-21)17-26-13-15-27(16-14-26)18-28-22(29)24(25-23(28)30)11-5-3-4-6-12-24/h7-10,19H,3-6,11-18H2,1-2H3,(H,25,30).
What are the key properties of 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 412.58 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 9172288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).