3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

C21H27N4O2+ — CID 7891809

IUPAC3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-17-6-5-7-18(16-17)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyQUTPLKONDVZQIO-UHFFFAOYSA-O
MW367.47 g/mol
LogP0.55
Rot. Bonds5

About 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide (PubChem CID 7891809) has the molecular formula C21H27N4O2+ and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
PubChem CID7891809
Molecular FormulaC21H27N4O2+
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-17-6-5-7-18(16-17)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyQUTPLKONDVZQIO-UHFFFAOYSA-O
XLogP0.55
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 4995663
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
1-(3,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614651
3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
CID 2649187
4-(difluoromethoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891743
N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 7550967
5-chloro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 9150982
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125
3-(4-phenylpiperazin-1-ium-1-yl)-N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]propanehydrazide
CID 9150830
4-oxo-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 9150931
3-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 3480047

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide (CID 7891809) is 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide is Cc1cccc(C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide?
The InChIKey is QUTPLKONDVZQIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O2/c1-17-6-5-7-18(16-17)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27)/p+1.
What are the key properties of 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide?
3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide has a molecular weight of 367.47 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 7891809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).