3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride

C19H25ClN4O2 — CID 22079523

IUPAC3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN1CCC(c2cn(CCN3C(=O)CNC3=O)c3ccccc23)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-21-8-6-14(7-9-21)16-13-22(17-5-3-2-4-15(16)17)10-11-23-18(24)12-20-19(23)25;/h2-5,13-14H,6-12H2,1H3,(H,20,25);1H
InChIKeyXBKRFUXDTGLLHY-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.42
Rot. Bonds4

About 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride

3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 22079523) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID22079523
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN1CCC(c2cn(CCN3C(=O)CNC3=O)c3ccccc23)CC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-21-8-6-14(7-9-21)16-13-22(17-5-3-2-4-15(16)17)10-11-23-18(24)12-20-19(23)25;/h2-5,13-14H,6-12H2,1H3,(H,20,25);1H
InChIKeyXBKRFUXDTGLLHY-UHFFFAOYSA-N
XLogP2.42
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride (CID 22079523) is 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride is CN1CCC(c2cn(CCN3C(=O)CNC3=O)c3ccccc23)CC1.Cl.
What is the InChIKey of 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is XBKRFUXDTGLLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-21-8-6-14(7-9-21)16-13-22(17-5-3-2-4-15(16)17)10-11-23-18(24)12-20-19(23)25;/h2-5,13-14H,6-12H2,1H3,(H,20,25);1H.
What are the key properties of 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-methylpiperidin-4-yl)indol-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 22079523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).