1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine

C22H23N3O4 — CID 1375626

IUPAC1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C22H23N3O4/c1-28-22-9-5-4-8-20(22)24-14-12-23(13-15-24)16-17-10-11-21(29-17)18-6-2-3-7-19(18)25(26)27/h2-11H,12-16H2,1H3
InChIKeyUXLZBDSSLOPHET-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine

1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine (PubChem CID 1375626) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
PubChem CID1375626
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1
InChIInChI=1S/C22H23N3O4/c1-28-22-9-5-4-8-20(22)24-14-12-23(13-15-24)16-17-10-11-21(29-17)18-6-2-3-7-19(18)25(26)27/h2-11H,12-16H2,1H3
InChIKeyUXLZBDSSLOPHET-UHFFFAOYSA-N
XLogP4.19
TPSA71.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11440188
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)ethanamine
CID 57155336
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
2-[(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-yl]acetamide
CID 97160295
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
2-methyl-6-[[5-(2-nitrophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910650
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 22458182
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-nitrophenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 60538847
N,1-dimethyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 782059

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine (CID 1375626) is 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine is COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The InChIKey is UXLZBDSSLOPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-22-9-5-4-8-20(22)24-14-12-23(13-15-24)16-17-10-11-21(29-17)18-6-2-3-7-19(18)25(26)27/h2-11H,12-16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine has a molecular weight of 393.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine is sourced from PubChem (CID 1375626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).