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

C25H30N4O2 — CID 46220113

IUPAC3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1
InChIInChI=1S/C25H30N4O2/c30-24-18-28(25(31)29(24)16-20-7-8-20)15-19-9-11-21(12-10-19)23-6-4-5-22(26-23)17-27-13-2-1-3-14-27/h4-6,9-12,20H,1-3,7-8,13-18H2
InChIKeyXXIXUFWGNLLBPB-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.91
Rot. Bonds7

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

3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 46220113) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID46220113
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1
InChIInChI=1S/C25H30N4O2/c30-24-18-28(25(31)29(24)16-20-7-8-20)15-19-9-11-21(12-10-19)23-6-4-5-22(26-23)17-27-13-2-1-3-14-27/h4-6,9-12,20H,1-3,7-8,13-18H2
InChIKeyXXIXUFWGNLLBPB-UHFFFAOYSA-N
XLogP3.91
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.91
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-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (CID 46220113) is 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is XXIXUFWGNLLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24-18-28(25(31)29(24)16-20-7-8-20)15-19-9-11-21(12-10-19)23-6-4-5-22(26-23)17-27-13-2-1-3-14-27/h4-6,9-12,20H,1-3,7-8,13-18H2.
What are the key properties of 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46220113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).