3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

C25H32N4O2 — CID 46207960

IUPAC3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C25H32N4O2/c1-19(2)15-29-24(30)18-28(25(29)31)16-20-9-11-21(12-10-20)23-8-6-7-22(26-23)17-27-13-4-3-5-14-27/h6-12,19H,3-5,13-18H2,1-2H3
InChIKeyJYJNQKZFUWAVRM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.15
Rot. Bonds7

About 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 46207960) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID46207960
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C25H32N4O2/c1-19(2)15-29-24(30)18-28(25(29)31)16-20-9-11-21(12-10-20)23-8-6-7-22(26-23)17-27-13-4-3-5-14-27/h6-12,19H,3-5,13-18H2,1-2H3
InChIKeyJYJNQKZFUWAVRM-UHFFFAOYSA-N
XLogP4.15
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
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-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (CID 46207960) is 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is JYJNQKZFUWAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19(2)15-29-24(30)18-28(25(29)31)16-20-9-11-21(12-10-20)23-8-6-7-22(26-23)17-27-13-4-3-5-14-27/h6-12,19H,3-5,13-18H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 420.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).