3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one

C17H18N2O3 — CID 45238924

IUPAC3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
SMILESCc1occc1C(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12-14(7-10-22-12)17(21)19-9-8-18-16(20)15(19)11-13-5-3-2-4-6-13/h2-7,10,15H,8-9,11H2,1H3,(H,18,20)
InChIKeyQHDBIFLBHDTPKT-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.77
Rot. Bonds3

About 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one

3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one (PubChem CID 45238924) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
PubChem CID45238924
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
SMILESCc1occc1C(=O)N1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12-14(7-10-22-12)17(21)19-9-8-18-16(20)15(19)11-13-5-3-2-4-6-13/h2-7,10,15H,8-9,11H2,1H3,(H,18,20)
InChIKeyQHDBIFLBHDTPKT-UHFFFAOYSA-N
XLogP1.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 99936115
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one (CID 45238924) is 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one is Cc1occc1C(=O)N1CCNC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The InChIKey is QHDBIFLBHDTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-14(7-10-22-12)17(21)19-9-8-18-16(20)15(19)11-13-5-3-2-4-6-13/h2-7,10,15H,8-9,11H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one has a molecular weight of 298.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 45238924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).