N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide

C20H23N5O5 — CID 55354434

IUPACN'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
SMILESCOc1cccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1
InChIInChI=1S/C20H23N5O5/c1-30-18-7-3-5-16(13-18)24-10-8-23(9-11-24)14-19(26)21-22-20(27)15-4-2-6-17(12-15)25(28)29/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,27)
InChIKeyOSYOEKFMDVIPKM-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.19
Rot. Bonds6

About N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide

N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide (PubChem CID 55354434) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
PubChem CID55354434
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
SMILESCOc1cccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1
InChIInChI=1S/C20H23N5O5/c1-30-18-7-3-5-16(13-18)24-10-8-23(9-11-24)14-19(26)21-22-20(27)15-4-2-6-17(12-15)25(28)29/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,27)
InChIKeyOSYOEKFMDVIPKM-UHFFFAOYSA-N
XLogP1.19
TPSA117.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
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-(4-cyanophenyl)-1,4-diazepan-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55849681
2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
CID 55842735
1-(3-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazine
CID 782292
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 27154833
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
1-[(2-methoxy-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazine
CID 38124721

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide (CID 55354434) is N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide is COc1cccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1.
What is the InChIKey of N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The InChIKey is OSYOEKFMDVIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-30-18-7-3-5-16(13-18)24-10-8-23(9-11-24)14-19(26)21-22-20(27)15-4-2-6-17(12-15)25(28)29/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide has a molecular weight of 413.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 55354434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).