(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C17H27N5O3 — CID 96513827

IUPAC(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O
InChIInChI=1S/C17H27N5O3/c1-16(2,3)13-20-19-12(25-13)10-22-8-6-7-11(9-22)17(4)14(23)21(5)15(24)18-17/h11H,6-10H2,1-5H3,(H,18,24)/t11-,17+/m0/s1
InChIKeyZEUZQYWTTFPFSZ-APPDUMDISA-N
MW349.44 g/mol
LogP1.52
Rot. Bonds3

About (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 96513827) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID96513827
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O
InChIInChI=1S/C17H27N5O3/c1-16(2,3)13-20-19-12(25-13)10-22-8-6-7-11(9-22)17(4)14(23)21(5)15(24)18-17/h11H,6-10H2,1-5H3,(H,18,24)/t11-,17+/m0/s1
InChIKeyZEUZQYWTTFPFSZ-APPDUMDISA-N
XLogP1.52
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97099056
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97090048
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 96513827) is (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O.
What is the InChIKey of (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZEUZQYWTTFPFSZ-APPDUMDISA-N. The full InChI is InChI=1S/C17H27N5O3/c1-16(2,3)13-20-19-12(25-13)10-22-8-6-7-11(9-22)17(4)14(23)21(5)15(24)18-17/h11H,6-10H2,1-5H3,(H,18,24)/t11-,17+/m0/s1.
What are the key properties of (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 349.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 96513827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).