3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

C19H22N4O4 — CID 2966069

IUPAC3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)18-7-6-15(23(25)26)13-17(18)20-19(24)14-4-3-5-16(12-14)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyXUPWXLOPCYFDQV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.61
Rot. Bonds5

About 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (PubChem CID 2966069) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
PubChem CID2966069
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)18-7-6-15(23(25)26)13-17(18)20-19(24)14-4-3-5-16(12-14)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyXUPWXLOPCYFDQV-UHFFFAOYSA-N
XLogP2.61
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
CID 16340618
3-butoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 1619779
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-methoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
CID 2960624
4-methoxy-N-[5-nitro-2-(1-pyrrolidinyl)phenyl]benzamide
CID 2966314
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-methoxybenzamide
CID 2988057
N-(3-methoxybenzyl)-N'-(3-nitrophenyl)pentanediamide
CID 3993135
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 2197185
[4-[3-[2-(3,4-Dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 2889688
(4-{3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-4-nitro-phenyl}-piperazin-1-yl)-(4-methoxy-phenyl)-methanone
CID 3659619
3-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-benzamide
CID 10643697

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (CID 2966069) is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The InChIKey is XUPWXLOPCYFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)18-7-6-15(23(25)26)13-17(18)20-19(24)14-4-3-5-16(12-14)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is sourced from PubChem (CID 2966069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).