3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one

C18H27N3O4 — CID 45190532

IUPAC3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
SMILESCOCC1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(C)o2)C1
InChIInChI=1S/C18H27N3O4/c1-13-3-4-15(25-13)11-20-8-6-19-18(23)16(20)9-17(22)21-7-5-14(10-21)12-24-2/h3-4,14,16H,5-12H2,1-2H3,(H,19,23)
InChIKeyOYPLJZNDOIQHTK-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.77
Rot. Bonds6

About 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one

3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one (PubChem CID 45190532) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
PubChem CID45190532
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
SMILESCOCC1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(C)o2)C1
InChIInChI=1S/C18H27N3O4/c1-13-3-4-15(25-13)11-20-8-6-19-18(23)16(20)9-17(22)21-7-5-14(10-21)12-24-2/h3-4,14,16H,5-12H2,1-2H3,(H,19,23)
InChIKeyOYPLJZNDOIQHTK-UHFFFAOYSA-N
XLogP0.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-[3-(1,3-thiazol-2-yl)azetidin-1-yl]ethyl]piperazin-2-one
CID 125176564
4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]piperazin-2-one
CID 157013730
(3R)-3-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 42304222
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
CID 97433851
3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 119061653
N-methyl-2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 26321929
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45252575
(3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51909890
(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42595229
N-methyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 45185862

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one (CID 45190532) is 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one is COCC1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(C)o2)C1.
What is the InChIKey of 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one?
The InChIKey is OYPLJZNDOIQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-3-4-15(25-13)11-20-8-6-19-18(23)16(20)9-17(22)21-7-5-14(10-21)12-24-2/h3-4,14,16H,5-12H2,1-2H3,(H,19,23).
What are the key properties of 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one?
3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one has a molecular weight of 349.43 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 45190532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).