1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

C23H28N4O3 — CID 31132785

IUPAC1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C23H28N4O3/c1-17(2)14-26-21(28)22(29)27(23(26)30)16-25-12-10-24(11-13-25)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,17H,10-16H2,1-2H3
InChIKeyVSTVVRFKGOTTSE-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.36
Rot. Bonds6

About 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 31132785) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID31132785
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C23H28N4O3/c1-17(2)14-26-21(28)22(29)27(23(26)30)16-25-12-10-24(11-13-25)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,17H,10-16H2,1-2H3
InChIKeyVSTVVRFKGOTTSE-UHFFFAOYSA-N
XLogP2.36
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 9282637
1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 31131755
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30961017
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10828885
2-[methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]amino]propanoic acid
CID 119912970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 31132785) is 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is VSTVVRFKGOTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(2)14-26-21(28)22(29)27(23(26)30)16-25-12-10-24(11-13-25)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,17H,10-16H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 408.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 31132785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).