3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one

C16H22N2O3 — CID 63089357

IUPAC3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCNC(=O)C2C)o1
InChIInChI=1S/C16H22N2O3/c1-10-9-13(10)14-5-3-12(21-14)4-6-15(19)18-8-7-17-16(20)11(18)2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,20)
InChIKeyJIZOACBVJYWSPC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one

3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one (PubChem CID 63089357) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
PubChem CID63089357
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCNC(=O)C2C)o1
InChIInChI=1S/C16H22N2O3/c1-10-9-13(10)14-5-3-12(21-14)4-6-15(19)18-8-7-17-16(20)11(18)2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,20)
InChIKeyJIZOACBVJYWSPC-UHFFFAOYSA-N
XLogP1.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816833
1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 94628029
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119183130
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95770205
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603605
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 94488357

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one (CID 63089357) is 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one is CC1CC1c1ccc(CCC(=O)N2CCNC(=O)C2C)o1.
What is the InChIKey of 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one?
The InChIKey is JIZOACBVJYWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-9-13(10)14-5-3-12(21-14)4-6-15(19)18-8-7-17-16(20)11(18)2/h3,5,10-11,13H,4,6-9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one?
3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 63089357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).