(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione

C15H23N5O3 — CID 129461912

IUPAC(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCc1noc([C@H](C)N2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1
InChIInChI=1S/C15H23N5O3/c1-9(12-16-10(2)18-23-12)20-7-5-6-11(8-20)15(3)13(21)19(4)14(22)17-15/h9,11H,5-8H2,1-4H3,(H,17,22)/t9-,11+,15-/m0/s1
InChIKeyOVLLJSFBLZOWHT-ISOBSLSZSA-N
MW321.38 g/mol
LogP1.09
Rot. Bonds3

About (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione

(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 129461912) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID129461912
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCc1noc([C@H](C)N2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1
InChIInChI=1S/C15H23N5O3/c1-9(12-16-10(2)18-23-12)20-7-5-6-11(8-20)15(3)13(21)19(4)14(22)17-15/h9,11H,5-8H2,1-4H3,(H,17,22)/t9-,11+,15-/m0/s1
InChIKeyOVLLJSFBLZOWHT-ISOBSLSZSA-N
XLogP1.09
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98791548
(5R)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97089215
[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95299260
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571823
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 94571812
5-[(1S)-1-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95332951
5-[(1R)-1-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 124810903

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 129461912) is (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione is Cc1noc([C@H](C)N2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1.
What is the InChIKey of (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is OVLLJSFBLZOWHT-ISOBSLSZSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-9(12-16-10(2)18-23-12)20-7-5-6-11(8-20)15(3)13(21)19(4)14(22)17-15/h9,11H,5-8H2,1-4H3,(H,17,22)/t9-,11+,15-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 129461912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).