5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

C23H32ClN3O4 — CID 45183182

IUPAC5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3ccc(O)c(Cl)c3)CC2)NC(=O)N(CC2CCCO2)C1=O
InChIInChI=1S/C23H32ClN3O4/c1-2-9-23(21(29)27(22(30)25-23)15-18-4-3-12-31-18)17-7-10-26(11-8-17)14-16-5-6-20(28)19(24)13-16/h5-6,13,17-18,28H,2-4,7-12,14-15H2,1H3,(H,25,30)
InChIKeyYLIYXTZDXDSLQL-UHFFFAOYSA-N
MW449.98 g/mol
LogP3.53
Rot. Bonds7

About 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (PubChem CID 45183182) has the molecular formula C23H32ClN3O4 and a molecular weight of 449.98 g/mol. Its IUPAC name is 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
PubChem CID45183182
Molecular FormulaC23H32ClN3O4
Molecular Weight449.98 g/mol
Exact Mass449.21
IUPAC Name5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3ccc(O)c(Cl)c3)CC2)NC(=O)N(CC2CCCO2)C1=O
InChIInChI=1S/C23H32ClN3O4/c1-2-9-23(21(29)27(22(30)25-23)15-18-4-3-12-31-18)17-7-10-26(11-8-17)14-16-5-6-20(28)19(24)13-16/h5-6,13,17-18,28H,2-4,7-12,14-15H2,1H3,(H,25,30)
InChIKeyYLIYXTZDXDSLQL-UHFFFAOYSA-N
XLogP3.53
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (CID 45183182) is 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(Cc3ccc(O)c(Cl)c3)CC2)NC(=O)N(CC2CCCO2)C1=O.
What is the InChIKey of 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is YLIYXTZDXDSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O4/c1-2-9-23(21(29)27(22(30)25-23)15-18-4-3-12-31-18)17-7-10-26(11-8-17)14-16-5-6-20(28)19(24)13-16/h5-6,13,17-18,28H,2-4,7-12,14-15H2,1H3,(H,25,30).
What are the key properties of 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 449.98 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45183182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).