(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

C25H28ClN3O4 — CID 42274862

IUPAC(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)N1
InChIInChI=1S/C25H28ClN3O4/c26-20-14-22-21(32-16-33-22)13-18(20)15-29-11-8-19(9-12-29)25(23(30)27-24(31)28-25)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,13-14,19H,4,7-12,15-16H2,(H2,27,28,30,31)/t25-/m1/s1
InChIKeySXWCJJCHLJADBX-RUZDIDTESA-N
MW469.97 g/mol
LogP3.88
Rot. Bonds7

About (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (PubChem CID 42274862) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
PubChem CID42274862
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC Name(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)N1
InChIInChI=1S/C25H28ClN3O4/c26-20-14-22-21(32-16-33-22)13-18(20)15-29-11-8-19(9-12-29)25(23(30)27-24(31)28-25)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,13-14,19H,4,7-12,15-16H2,(H2,27,28,30,31)/t25-/m1/s1
InChIKeySXWCJJCHLJADBX-RUZDIDTESA-N
XLogP3.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45193668
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42246930
(5S)-5-(3-phenylpropyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42168111
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170913
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
(5R)-5-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42381080
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42343993

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (CID 42274862) is (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)N1.
What is the InChIKey of (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The InChIKey is SXWCJJCHLJADBX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28ClN3O4/c26-20-14-22-21(32-16-33-22)13-18(20)15-29-11-8-19(9-12-29)25(23(30)27-24(31)28-25)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,13-14,19H,4,7-12,15-16H2,(H2,27,28,30,31)/t25-/m1/s1.
What are the key properties of (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione has a molecular weight of 469.97 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42274862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).