3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide

C18H28N3O5+ — CID 7448564

IUPAC3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC[NH+]2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27N3O5/c1-24-14-11-13(12-15(25-2)17(14)26-3)18(23)20-19-16(22)7-10-21-8-5-4-6-9-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyQHMOYQDSYZBVNR-UHFFFAOYSA-O
MW366.44 g/mol
LogP-0.07
Rot. Bonds7

About 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide

3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide (PubChem CID 7448564) has the molecular formula C18H28N3O5+ and a molecular weight of 366.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
PubChem CID7448564
Molecular FormulaC18H28N3O5+
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC[NH+]2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27N3O5/c1-24-14-11-13(12-15(25-2)17(14)26-3)18(23)20-19-16(22)7-10-21-8-5-4-6-9-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyQHMOYQDSYZBVNR-UHFFFAOYSA-O
XLogP-0.07
TPSA90.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
N,N-dimethyl-2-[2-oxo-2-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]ethoxy]acetamide
CID 3971396
2-(azocan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8680151
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide (CID 7448564) is 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)CC[NH+]2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide?
The InChIKey is QHMOYQDSYZBVNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O5/c1-24-14-11-13(12-15(25-2)17(14)26-3)18(23)20-19-16(22)7-10-21-8-5-4-6-9-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide has a molecular weight of 366.44 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide is sourced from PubChem (CID 7448564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).