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

C18H25N3O2 — CID 10567362

IUPAC3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c22-17-14-19-18(23)21(17)10-4-9-20-11-7-16(8-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,23)
InChIKeyLWKRPIQDBOYLDR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.88
Rot. Bonds6

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

3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 10567362) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID10567362
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c22-17-14-19-18(23)21(17)10-4-9-20-11-7-16(8-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,23)
InChIKeyLWKRPIQDBOYLDR-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (CID 10567362) is 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is LWKRPIQDBOYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-14-19-18(23)21(17)10-4-9-20-11-7-16(8-12-20)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,23).
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 315.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10567362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).