N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide

C26H29FN4O4 — CID 16809855

IUPACN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H29FN4O4/c1-34-22-5-2-4-19(16-22)17-28-25(32)26(33)29-18-23(24-6-3-15-35-24)31-13-11-30(12-14-31)21-9-7-20(27)8-10-21/h2-10,15-16,23H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyLRMPINFRCYUFDP-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.72
Rot. Bonds8

About N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 16809855) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
PubChem CID16809855
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H29FN4O4/c1-34-22-5-2-4-19(16-22)17-28-25(32)26(33)29-18-23(24-6-3-15-35-24)31-13-11-30(12-14-31)21-9-7-20(27)8-10-21/h2-10,15-16,23H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyLRMPINFRCYUFDP-UHFFFAOYSA-N
XLogP2.72
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 43990693
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide (CID 16809855) is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is LRMPINFRCYUFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-34-22-5-2-4-19(16-22)17-28-25(32)26(33)29-18-23(24-6-3-15-35-24)31-13-11-30(12-14-31)21-9-7-20(27)8-10-21/h2-10,15-16,23H,11-14,17-18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide?
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 480.54 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 16809855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).