3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione

C19H27N3O2 — CID 10853833

IUPAC3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-18-15-20-19(24)22(18)11-5-4-10-21-12-8-17(9-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24)
InChIKeyZDMHENDRWIZCTI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.27
Rot. Bonds7

About 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione

3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione (PubChem CID 10853833) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
PubChem CID10853833
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-18-15-20-19(24)22(18)11-5-4-10-21-12-8-17(9-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24)
InChIKeyZDMHENDRWIZCTI-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione (CID 10853833) is 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione?
The InChIKey is ZDMHENDRWIZCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18-15-20-19(24)22(18)11-5-4-10-21-12-8-17(9-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24).
What are the key properties of 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione?
3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10853833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).