(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C17H29N3O2 — CID 97217642

IUPAC(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCC3CCCC3)C2)C1=O
InChIInChI=1S/C17H29N3O2/c1-17(15(21)19(2)16(22)18-17)14-8-5-10-20(12-14)11-9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3,(H,18,22)/t14-,17-/m1/s1
InChIKeyFWLBVXUWHBOZKH-RHSMWYFYSA-N
MW307.44 g/mol
LogP2.22
Rot. Bonds4

About (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 97217642) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID97217642
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCC3CCCC3)C2)C1=O
InChIInChI=1S/C17H29N3O2/c1-17(15(21)19(2)16(22)18-17)14-8-5-10-20(12-14)11-9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3,(H,18,22)/t14-,17-/m1/s1
InChIKeyFWLBVXUWHBOZKH-RHSMWYFYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 97217642) is (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N[C@](C)([C@@H]2CCCN(CCC3CCCC3)C2)C1=O.
What is the InChIKey of (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FWLBVXUWHBOZKH-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(15(21)19(2)16(22)18-17)14-8-5-10-20(12-14)11-9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3,(H,18,22)/t14-,17-/m1/s1.
What are the key properties of (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 307.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 97217642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).