(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C20H29N3O3 — CID 95202564

IUPAC(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCCO
InChIInChI=1S/C20H29N3O3/c24-15-5-14-23-18(25)20(22-19(23)26,17-9-12-21-13-10-17)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,17,21,24H,4-5,8-15H2,(H,22,26)/t20-/m1/s1
InChIKeyVFBBTZUZGYWYKJ-HXUWFJFHSA-N
MW359.47 g/mol
LogP1.68
Rot. Bonds8

About (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95202564) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95202564
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCCO
InChIInChI=1S/C20H29N3O3/c24-15-5-14-23-18(25)20(22-19(23)26,17-9-12-21-13-10-17)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,17,21,24H,4-5,8-15H2,(H,22,26)/t20-/m1/s1
InChIKeyVFBBTZUZGYWYKJ-HXUWFJFHSA-N
XLogP1.68
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95202564) is (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1N[C@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCCO.
What is the InChIKey of (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is VFBBTZUZGYWYKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-15-5-14-23-18(25)20(22-19(23)26,17-9-12-21-13-10-17)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,17,21,24H,4-5,8-15H2,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 359.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95202564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).