3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

C29H32ClN3O3 — CID 3043723

IUPAC3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H31N3O3.ClH/c33-26-29(24-13-6-2-7-14-24,25-15-8-3-9-16-25)30-27(34)32(26)20-10-19-31-21-17-28(35,18-22-31)23-11-4-1-5-12-23;/h1-9,11-16,35H,10,17-22H2,(H,30,34);1H
InChIKeyHIRMMDNTFPBCQD-UHFFFAOYSA-N
MW506.05 g/mol
LogP4.28
Rot. Bonds7

About 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (PubChem CID 3043723) has the molecular formula C29H32ClN3O3 and a molecular weight of 506.05 g/mol. Its IUPAC name is 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
PubChem CID3043723
Molecular FormulaC29H32ClN3O3
Molecular Weight506.05 g/mol
Exact Mass505.21
IUPAC Name3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C29H31N3O3.ClH/c33-26-29(24-13-6-2-7-14-24,25-15-8-3-9-16-25)30-27(34)32(26)20-10-19-31-21-17-28(35,18-22-31)23-11-4-1-5-12-23;/h1-9,11-16,35H,10,17-22H2,(H,30,34);1H
InChIKeyHIRMMDNTFPBCQD-UHFFFAOYSA-N
XLogP4.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.05
LogP ≤ 54.28
H-Bond Donors ≤ 52
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-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (CID 3043723) is 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is HIRMMDNTFPBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3.ClH/c33-26-29(24-13-6-2-7-14-24,25-15-8-3-9-16-25)30-27(34)32(26)20-10-19-31-21-17-28(35,18-22-31)23-11-4-1-5-12-23;/h1-9,11-16,35H,10,17-22H2,(H,30,34);1H.
What are the key properties of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 506.05 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3043723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).