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

C18H33N3O3 — CID 42304222

IUPAC(3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCOCC1CCN(C(=O)C[C@@H]2C(=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)/t16-/m1/s1
InChIKeyCUSPSSJHCHHSDY-MRXNPFEDSA-N
MW339.48 g/mol
LogP1.11
Rot. Bonds7

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

(3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (PubChem CID 42304222) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
PubChem CID42304222
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCOCC1CCN(C(=O)C[C@@H]2C(=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)/t16-/m1/s1
InChIKeyCUSPSSJHCHHSDY-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The IUPAC name of (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (CID 42304222) is (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The canonical SMILES for (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is COCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)CC1.
What is the InChIKey of (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The InChIKey is CUSPSSJHCHHSDY-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
(3R)-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 (3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is sourced from PubChem (CID 42304222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).