4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one

C17H18N2O4 — CID 24716235

IUPAC4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccco2)C(C)C1=O
InChIInChI=1S/C17H18N2O4/c1-12-16(20)19(13-6-3-4-7-14(13)22-2)10-9-18(12)17(21)15-8-5-11-23-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLMQUNLYUIMPIDS-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.17
Rot. Bonds3

About 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one

4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 24716235) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID24716235
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccco2)C(C)C1=O
InChIInChI=1S/C17H18N2O4/c1-12-16(20)19(13-6-3-4-7-14(13)22-2)10-9-18(12)17(21)15-8-5-11-23-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLMQUNLYUIMPIDS-UHFFFAOYSA-N
XLogP2.17
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716365
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 42847356
[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2476767
[(3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2476769
furan-2-yl-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2898369
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
CID 93292659
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 42847339

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (CID 24716235) is 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is COc1ccccc1N1CCN(C(=O)c2ccco2)C(C)C1=O.
What is the InChIKey of 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is LMQUNLYUIMPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-16(20)19(13-6-3-4-7-14(13)22-2)10-9-18(12)17(21)15-8-5-11-23-15/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 314.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).