3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium

C16H28N3O2Y- — CID 176578268

IUPAC3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
SMILESCC(C)C(=O)CN1CCN(CC2CCN([C-]=O)CC2)CC1.[Y]
InChIInChI=1S/C16H28N3O2.Y/c1-14(2)16(21)12-18-9-7-17(8-10-18)11-15-3-5-19(13-20)6-4-15;/h14-15H,3-12H2,1-2H3;/q-1;
InChIKeyZZSQVNCOJIWYNC-UHFFFAOYSA-N
MW383.33 g/mol
LogP0.61
Rot. Bonds6

About 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium

3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium (PubChem CID 176578268) has the molecular formula C16H28N3O2Y- and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium.

Molecular Properties

Compound Name3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
PubChem CID176578268
Molecular FormulaC16H28N3O2Y-
Molecular Weight383.33 g/mol
Exact Mass383.12
IUPAC Name3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
SMILESCC(C)C(=O)CN1CCN(CC2CCN([C-]=O)CC2)CC1.[Y]
InChIInChI=1S/C16H28N3O2.Y/c1-14(2)16(21)12-18-9-7-17(8-10-18)11-15-3-5-19(13-20)6-4-15;/h14-15H,3-12H2,1-2H3;/q-1;
InChIKeyZZSQVNCOJIWYNC-UHFFFAOYSA-N
XLogP0.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 3526406
1-[4-[2-[4-(Trifluoromethyl)piperazin-1-yl]ethyl]piperidin-1-yl]propane-1,2-dione;hydrochloride
CID 174574518
1-[4-[1-(2,2,2-Trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one
CID 110665571
1-[4-[2-[4-(Trifluoromethyl)piperazin-1-yl]ethyl]piperidin-1-yl]propane-1,2-dione
CID 174574519
1,2-Bis(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 2880660
1-(4-Methylpiperidin-1-yl)-2-piperidin-1-ylethanone
CID 39973015
1-(4-((4-Acetylpiperazin-1-yl)methyl)piperidin-1-yl)ethanone
CID 91623577
2-(4-Ethylpiperazin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1460119
1-Ethyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 20641709
2-(4-Methylpiperidin-1-yl)-1-piperidin-1-ylethanone
CID 39903913
1-[2-(4-Methylpiperazin-1-yl)acetyl]piperidin-4-one
CID 43229278
1-(4-Acetylpiperidin-1-yl)-2-(dimethylamino)ethanone
CID 57941162

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium?
The IUPAC name of 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium (CID 176578268) is 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium.
What is the SMILES notation for 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium?
The canonical SMILES for 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium is CC(C)C(=O)CN1CCN(CC2CCN([C-]=O)CC2)CC1.[Y].
What is the InChIKey of 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium?
The InChIKey is ZZSQVNCOJIWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N3O2.Y/c1-14(2)16(21)12-18-9-7-17(8-10-18)11-15-3-5-19(13-20)6-4-15;/h14-15H,3-12H2,1-2H3;/q-1;.
What are the key properties of 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium?
3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium has a molecular weight of 383.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium is sourced from PubChem (CID 176578268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).