N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C19H24N3O5+ — CID 7399457

IUPACN-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-25-14-5-6-15(17(12-14)26-2)20-18(23)13-21-7-9-22(10-8-21)19(24)16-4-3-11-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23)/p+1
InChIKeyKFMLETMLHOTJSV-UHFFFAOYSA-O
MW374.42 g/mol
LogP0.28
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 7399457) has the molecular formula C19H24N3O5+ and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID7399457
Molecular FormulaC19H24N3O5+
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-25-14-5-6-15(17(12-14)26-2)20-18(23)13-21-7-9-22(10-8-21)19(24)16-4-3-11-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23)/p+1
InChIKeyKFMLETMLHOTJSV-UHFFFAOYSA-O
XLogP0.28
TPSA85.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 9223633
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2441167
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932693
2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8549129
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 4755786
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8932592
N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7405790
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 9131173

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 7399457) is N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is COc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is KFMLETMLHOTJSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O5/c1-25-14-5-6-15(17(12-14)26-2)20-18(23)13-21-7-9-22(10-8-21)19(24)16-4-3-11-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23)/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7399457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).