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

C19H23N4O4+ — CID 8932752

IUPACN-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-14(24)20-15-4-6-16(7-5-15)21-18(25)13-22-8-10-23(11-9-22)19(26)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25)/p+1
InChIKeyPNFQJMQHGCBTLK-UHFFFAOYSA-O
MW371.42 g/mol
LogP0.22
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8932752) has the molecular formula C19H23N4O4+ and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8932752
Molecular FormulaC19H23N4O4+
Molecular Weight371.42 g/mol
Exact Mass371.17
IUPAC NameN-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-14(24)20-15-4-6-16(7-5-15)21-18(25)13-22-8-10-23(11-9-22)19(26)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25)/p+1
InChIKeyPNFQJMQHGCBTLK-UHFFFAOYSA-O
XLogP0.22
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8932592
N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 4755786
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004778
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2441167
N-(3,4-difluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8549406
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257
N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 7399457
N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932693
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004774
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8549129

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 8932752) is N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is PNFQJMQHGCBTLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O4/c1-14(24)20-15-4-6-16(7-5-15)21-18(25)13-22-8-10-23(11-9-22)19(26)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8932752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).