(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

C22H26N4O2 — CID 95221358

IUPAC(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cccnc1
InChIInChI=1S/C22H26N4O2/c27-20-22(19-9-13-23-14-10-19,11-8-17-5-2-1-3-6-17)25-21(28)26(20)16-18-7-4-12-24-15-18/h1-7,12,15,19,23H,8-11,13-14,16H2,(H,25,28)/t22-/m1/s1
InChIKeyXLTRVZMPTREUHI-JOCHJYFZSA-N
MW378.48 g/mol
LogP2.50
Rot. Bonds6

About (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 95221358) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID95221358
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cccnc1
InChIInChI=1S/C22H26N4O2/c27-20-22(19-9-13-23-14-10-19,11-8-17-5-2-1-3-6-17)25-21(28)26(20)16-18-7-4-12-24-15-18/h1-7,12,15,19,23H,8-11,13-14,16H2,(H,25,28)/t22-/m1/s1
InChIKeyXLTRVZMPTREUHI-JOCHJYFZSA-N
XLogP2.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
CID 56710057
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118760432
(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
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95209787
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
CID 154885329
5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
CID 154887103
(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26338678
(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398914
(5S)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398915

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (CID 95221358) is (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cccnc1.
What is the InChIKey of (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is XLTRVZMPTREUHI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20-22(19-9-13-23-14-10-19,11-8-17-5-2-1-3-6-17)25-21(28)26(20)16-18-7-4-12-24-15-18/h1-7,12,15,19,23H,8-11,13-14,16H2,(H,25,28)/t22-/m1/s1.
What are the key properties of (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95221358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).