1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H26N6O4 — CID 56716433

IUPAC1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1c(C2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC2)nn(C)c1=O
InChIInChI=1S/C17H26N6O4/c1-5-22-13(19-20(4)16(22)27)11-6-8-21(9-7-11)12(24)10-23-15(26)18-14(25)17(23,2)3/h11H,5-10H2,1-4H3,(H,18,25,26)
InChIKeyKHLDSCFNHKLUOD-UHFFFAOYSA-N
MW378.43 g/mol
LogP-0.36
Rot. Bonds4

About 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 56716433) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID56716433
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Name1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1c(C2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC2)nn(C)c1=O
InChIInChI=1S/C17H26N6O4/c1-5-22-13(19-20(4)16(22)27)11-6-8-21(9-7-11)12(24)10-23-15(26)18-14(25)17(23,2)3/h11H,5-10H2,1-4H3,(H,18,25,26)
InChIKeyKHLDSCFNHKLUOD-UHFFFAOYSA-N
XLogP-0.36
TPSA109.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-{2-[3-(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
CID 56707421
N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169
1-(2-{4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 50963826
2-({4-[(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
CID 56719422
5-[2-[4-(4-Ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 56721518
2,4-Dimethyl-6-(2-pyrrolidin-3-ylethylamino)-1,2,4-triazine-3,5-dione
CID 63624542
5-methyl-5-[1-[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 72108349
1-(2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 90540738
1-(2-(3-(4-isopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 90541284
N-(tert-butyl)-2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)acetamide
CID 90542933
4-cyclopropyl-1-methyl-3-(1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90542982
2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-(isopropylcarbamoyl)acetamide
CID 90542986

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 56716433) is 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CCn1c(C2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC2)nn(C)c1=O.
What is the InChIKey of 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KHLDSCFNHKLUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-5-22-13(19-20(4)16(22)27)11-6-8-21(9-7-11)12(24)10-23-15(26)18-14(25)17(23,2)3/h11H,5-10H2,1-4H3,(H,18,25,26).
What are the key properties of 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 378.43 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 56716433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).