(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C20H26N4O4 — CID 95220360

IUPAC(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1OCCN1CCN1C(=O)N[C@](Cc2ccccc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H26N4O4/c25-17-20(16-6-8-21-9-7-16,14-15-4-2-1-3-5-15)22-18(26)24(17)11-10-23-12-13-28-19(23)27/h1-5,16,21H,6-14H2,(H,22,26)/t20-/m1/s1
InChIKeyJSLWBUWNEQLGPK-HXUWFJFHSA-N
MW386.45 g/mol
LogP0.97
Rot. Bonds6

About (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95220360) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95220360
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1OCCN1CCN1C(=O)N[C@](Cc2ccccc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H26N4O4/c25-17-20(16-6-8-21-9-7-16,14-15-4-2-1-3-5-15)22-18(26)24(17)11-10-23-12-13-28-19(23)27/h1-5,16,21H,6-14H2,(H,22,26)/t20-/m1/s1
InChIKeyJSLWBUWNEQLGPK-HXUWFJFHSA-N
XLogP0.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
CID 154887103
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220588
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
(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
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95202564
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56716219
(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95229978
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
CID 154885329
(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 26324095

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95220360) is (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1OCCN1CCN1C(=O)N[C@](Cc2ccccc2)(C2CCNCC2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is JSLWBUWNEQLGPK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-17-20(16-6-8-21-9-7-16,14-15-4-2-1-3-5-15)22-18(26)24(17)11-10-23-12-13-28-19(23)27/h1-5,16,21H,6-14H2,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95220360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).