3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

C18H33N3O3 — CID 45239437

IUPAC3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCOCC1CCN(C(=O)CC2C(=O)NCCN2CCC(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)4-8-20-11-7-19-18(23)16(20)12-17(22)21-9-5-15(6-10-21)13-24-3/h14-16H,4-13H2,1-3H3,(H,19,23)
InChIKeyCUSPSSJHCHHSDY-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.11
Rot. Bonds7

About 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (PubChem CID 45239437) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
PubChem CID45239437
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCOCC1CCN(C(=O)CC2C(=O)NCCN2CCC(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-14(2)4-8-20-11-7-19-18(23)16(20)12-17(22)21-9-5-15(6-10-21)13-24-3/h14-16H,4-13H2,1-3H3,(H,19,23)
InChIKeyCUSPSSJHCHHSDY-UHFFFAOYSA-N
XLogP1.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclohexylmethyl)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 16190342
4-(2,2-Dimethylpropyl)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 16191235
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 16191798
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16187712
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190846
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
1-Cyclohexyl-4-{[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}-2-piperazinone
CID 24793171
1-(2-Fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 110283330
4-Isobutyl-3-{2-oxo-2-[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]ethyl}-2-piperazinone
CID 45171785
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-methoxypropyl)acetamide
CID 45173714

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The IUPAC name of 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (CID 45239437) is 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.
What is the SMILES notation for 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The canonical SMILES for 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is COCC1CCN(C(=O)CC2C(=O)NCCN2CCC(C)C)CC1.
What is the InChIKey of 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The InChIKey is CUSPSSJHCHHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)4-8-20-11-7-19-18(23)16(20)12-17(22)21-9-5-15(6-10-21)13-24-3/h14-16H,4-13H2,1-3H3,(H,19,23).
What are the key properties of 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one has a molecular weight of 339.48 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is sourced from PubChem (CID 45239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).