3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium

C12H20N2O3Y-2 — CID 59958250

IUPAC3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium
SMILESC[C-]=O.[2H]C1C(=O)N(CC)CCN1C(=O)[C-](C)C.[Y]
InChIInChI=1S/C10H17N2O2.C2H3O.Y/c1-4-11-5-6-12(7-9(11)13)10(14)8(2)3;1-2-3;/h4-7H2,1-3H3;1H3;/q2*-1;/i7D;;
InChIKeyLOPXQQSRUQAMMD-FMQXZSRCSA-N
MW330.22 g/mol
LogP0.40
Rot. Bonds2

About 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium

3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium (PubChem CID 59958250) has the molecular formula C12H20N2O3Y-2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium.

Molecular Properties

Compound Name3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium
PubChem CID59958250
Molecular FormulaC12H20N2O3Y-2
Molecular Weight330.22 g/mol
Exact Mass330.06
IUPAC Name3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium
SMILESC[C-]=O.[2H]C1C(=O)N(CC)CCN1C(=O)[C-](C)C.[Y]
InChIInChI=1S/C10H17N2O2.C2H3O.Y/c1-4-11-5-6-12(7-9(11)13)10(14)8(2)3;1-2-3;/h4-7H2,1-3H3;1H3;/q2*-1;/i7D;;
InChIKeyLOPXQQSRUQAMMD-FMQXZSRCSA-N
XLogP0.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione
CID 59958253
1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione;ethane;methane
CID 160825155
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
CID 20660448
4-ethyl-7,7-dimethyl-1,4-thiazepan-5-one
CID 18679243
1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-ethyl-1,4-diazepan-5-one
CID 26317705
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-ethyl-1,4-diazepan-5-one
CID 26274840
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
2-ethyl-7-(2-methylpropanoyl)-10-propan-2-yl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 155876784
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium?
The IUPAC name of 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium (CID 59958250) is 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium.
What is the SMILES notation for 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium?
The canonical SMILES for 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium is C[C-]=O.[2H]C1C(=O)N(CC)CCN1C(=O)[C-](C)C.[Y].
What is the InChIKey of 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium?
The InChIKey is LOPXQQSRUQAMMD-FMQXZSRCSA-N. The full InChI is InChI=1S/C10H17N2O2.C2H3O.Y/c1-4-11-5-6-12(7-9(11)13)10(14)8(2)3;1-2-3;/h4-7H2,1-3H3;1H3;/q2*-1;/i7D;;.
What are the key properties of 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium?
3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium has a molecular weight of 330.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium is sourced from PubChem (CID 59958250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).