3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione

C20H29N3O2 — CID 10545342

IUPAC3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19-16-21-20(25)23(19)12-6-2-5-11-22-13-9-18(10-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25)
InChIKeyJJYUIMGTPKMSTB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.66
Rot. Bonds8

About 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione

3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione (PubChem CID 10545342) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
PubChem CID10545342
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19-16-21-20(25)23(19)12-6-2-5-11-22-13-9-18(10-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25)
InChIKeyJJYUIMGTPKMSTB-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.66
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-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione (CID 10545342) is 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione?
The InChIKey is JJYUIMGTPKMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-16-21-20(25)23(19)12-6-2-5-11-22-13-9-18(10-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25).
What are the key properties of 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione?
3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione has a molecular weight of 343.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).