(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione

C20H27N3O3 — CID 7263656

IUPAC(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-19(2,3)20(15-10-6-4-7-11-15)17(25)23(18(26)21-20)14-16(24)22-12-8-5-9-13-22/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,26)/t20-/m1/s1
InChIKeyPKHCUHIBEKFKFU-HXUWFJFHSA-N
MW357.45 g/mol
LogP2.49
Rot. Bonds3

About (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione

(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 7263656) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
PubChem CID7263656
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-19(2,3)20(15-10-6-4-7-11-15)17(25)23(18(26)21-20)14-16(24)22-12-8-5-9-13-22/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,26)/t20-/m1/s1
InChIKeyPKHCUHIBEKFKFU-HXUWFJFHSA-N
XLogP2.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
3,3-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 51691258
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione (CID 7263656) is (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione is CC(C)(C)[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O.
What is the InChIKey of (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is PKHCUHIBEKFKFU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19(2,3)20(15-10-6-4-7-11-15)17(25)23(18(26)21-20)14-16(24)22-12-8-5-9-13-22/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,26)/t20-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione?
(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7263656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).