N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide

C20H25N4O5+ — CID 7405790

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)/p+1
InChIKeyBDNFJWLDHHXALI-UHFFFAOYSA-O
MW401.44 g/mol
LogP-0.62
Rot. Bonds6

About N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 7405790) has the molecular formula C20H25N4O5+ and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID7405790
Molecular FormulaC20H25N4O5+
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)/p+1
InChIKeyBDNFJWLDHHXALI-UHFFFAOYSA-O
XLogP-0.62
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 7399457
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8932592
N'-(4-methylphenyl)-N-[2-[4-(phenylcarbamoyl)piperazin-1-ium-1-yl]ethyl]oxamide
CID 7182649
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2441167
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide (CID 7405790) is N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is BDNFJWLDHHXALI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 401.44 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 7405790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).