3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C21H32N4O2 — CID 17409217

IUPAC3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CN(C)Cc2ccccc2N2CCCCC2)C1=O
InChIInChI=1S/C21H32N4O2/c1-16(2)13-18-20(26)25(21(27)22-18)15-23(3)14-17-9-5-6-10-19(17)24-11-7-4-8-12-24/h5-6,9-10,16,18H,4,7-8,11-15H2,1-3H3,(H,22,27)
InChIKeyGPONXNGVMRUZCX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.03
Rot. Bonds7

About 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 17409217) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID17409217
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CN(C)Cc2ccccc2N2CCCCC2)C1=O
InChIInChI=1S/C21H32N4O2/c1-16(2)13-18-20(26)25(21(27)22-18)15-23(3)14-17-9-5-6-10-19(17)24-11-7-4-8-12-24/h5-6,9-10,16,18H,4,7-8,11-15H2,1-3H3,(H,22,27)
InChIKeyGPONXNGVMRUZCX-UHFFFAOYSA-N
XLogP3.03
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 17409217) is 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=O)N(CN(C)Cc2ccccc2N2CCCCC2)C1=O.
What is the InChIKey of 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is GPONXNGVMRUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)13-18-20(26)25(21(27)22-18)15-23(3)14-17-9-5-6-10-19(17)24-11-7-4-8-12-24/h5-6,9-10,16,18H,4,7-8,11-15H2,1-3H3,(H,22,27).
What are the key properties of 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 372.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17409217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).