1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

C13H20N6O2 — CID 126438932

IUPAC1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCN1CCN(CC(=O)N2CCC[C@H](c3ncn[nH]3)C2)C1=O
InChIInChI=1S/C13H20N6O2/c1-17-5-6-19(13(17)21)8-11(20)18-4-2-3-10(7-18)12-14-9-15-16-12/h9-10H,2-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyKDUQHZOQXYURSK-JTQLQIEISA-N
MW292.34 g/mol
LogP-0.12
Rot. Bonds3

About 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 126438932) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID126438932
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCN1CCN(CC(=O)N2CCC[C@H](c3ncn[nH]3)C2)C1=O
InChIInChI=1S/C13H20N6O2/c1-17-5-6-19(13(17)21)8-11(20)18-4-2-3-10(7-18)12-14-9-15-16-12/h9-10H,2-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyKDUQHZOQXYURSK-JTQLQIEISA-N
XLogP-0.12
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 72921513
4-(azepan-1-yl)-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butan-1-one
CID 131940874
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidin-2-one;hydrochloride
CID 154907077
pyrrolidin-2-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119889273
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131923801
1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 131951524
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166202000
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 126438932) is 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is CN1CCN(CC(=O)N2CCC[C@H](c3ncn[nH]3)C2)C1=O.
What is the InChIKey of 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is KDUQHZOQXYURSK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N6O2/c1-17-5-6-19(13(17)21)8-11(20)18-4-2-3-10(7-18)12-14-9-15-16-12/h9-10H,2-8H2,1H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 126438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).