(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C21H28FN3O3 — CID 95215901

IUPAC(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2F)(C2CCNCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C21H28FN3O3/c22-18-4-2-1-3-16(18)13-21(17-5-9-23-10-6-17)19(26)25(20(27)24-21)14-15-7-11-28-12-8-15/h1-4,15,17,23H,5-14H2,(H,24,27)/t21-/m1/s1
InChIKeyINNQOBJBUWRADG-OAQYLSRUSA-N
MW389.47 g/mol
LogP2.09
Rot. Bonds5

About (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95215901) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95215901
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2F)(C2CCNCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C21H28FN3O3/c22-18-4-2-1-3-16(18)13-21(17-5-9-23-10-6-17)19(26)25(20(27)24-21)14-15-7-11-28-12-8-15/h1-4,15,17,23H,5-14H2,(H,24,27)/t21-/m1/s1
InChIKeyINNQOBJBUWRADG-OAQYLSRUSA-N
XLogP2.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220360
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45212407
5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
CID 154887103
(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219274
5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
CID 45172810
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216752
(5R)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216753
5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56716219
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45193861

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95215901) is (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1N[C@](Cc2ccccc2F)(C2CCNCC2)C(=O)N1CC1CCOCC1.
What is the InChIKey of (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is INNQOBJBUWRADG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-18-4-2-1-3-16(18)13-21(17-5-9-23-10-6-17)19(26)25(20(27)24-21)14-15-7-11-28-12-8-15/h1-4,15,17,23H,5-14H2,(H,24,27)/t21-/m1/s1.
What are the key properties of (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 389.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95215901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).