N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide

C24H26N4O5 — CID 22458182

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccco2)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H26N4O5/c1-32-22-10-5-4-9-21(22)26-15-12-25(13-16-26)14-17-27(24(29)23-11-6-18-33-23)19-7-2-3-8-20(19)28(30)31/h2-11,18H,12-17H2,1H3
InChIKeyQMAFRFWDWUQFJD-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.67
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 22458182) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide
PubChem CID22458182
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccco2)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H26N4O5/c1-32-22-10-5-4-9-21(22)26-15-12-25(13-16-26)14-17-27(24(29)23-11-6-18-33-23)19-7-2-3-8-20(19)28(30)31/h2-11,18H,12-17H2,1H3
InChIKeyQMAFRFWDWUQFJD-UHFFFAOYSA-N
XLogP3.67
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-nitrophenyl)cyclohexanecarboxamide
CID 22458136
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 11419230
1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
CID 1375626
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
CID 78387585
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrothiophen-1-ium-1-yl)propan-1-one;hydrochloride
CID 172736575
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)ethanamine
CID 57155336
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)pyrazine-2-carboxamide
CID 165341890
1-(2-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6928608
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-ylbenzamide
CID 10365405
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide (CID 22458182) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccco2)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is QMAFRFWDWUQFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-32-22-10-5-4-9-21(22)26-15-12-25(13-16-26)14-17-27(24(29)23-11-6-18-33-23)19-7-2-3-8-20(19)28(30)31/h2-11,18H,12-17H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 22458182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).