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

C16H25N5O3 — CID 95780847

IUPAC(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1
InChIInChI=1S/C16H25N5O3/c1-10(2)7-13-17-12(20-24-13)9-21-6-4-5-11(8-21)16(3)14(22)18-15(23)19-16/h10-11H,4-9H2,1-3H3,(H2,18,19,22,23)/t11-,16-/m1/s1
InChIKeyAEABMKCMQZKSMP-BDJLRTHQSA-N
MW335.41 g/mol
LogP1.08
Rot. Bonds5

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

(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 95780847) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID95780847
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1
InChIInChI=1S/C16H25N5O3/c1-10(2)7-13-17-12(20-24-13)9-21-6-4-5-11(8-21)16(3)14(22)18-15(23)19-16/h10-11H,4-9H2,1-3H3,(H2,18,19,22,23)/t11-,16-/m1/s1
InChIKeyAEABMKCMQZKSMP-BDJLRTHQSA-N
XLogP1.08
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-5-[(3S)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780978
(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98768253
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
CID 167903123
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157012572
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780966
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131931577
1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione
CID 75422498
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 95780847) is (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione is CC(C)Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1.
What is the InChIKey of (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is AEABMKCMQZKSMP-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10(2)7-13-17-12(20-24-13)9-21-6-4-5-11(8-21)16(3)14(22)18-15(23)19-16/h10-11H,4-9H2,1-3H3,(H2,18,19,22,23)/t11-,16-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95780847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).