N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide

C23H35N3O6 — CID 5219851

IUPACN'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC(C)CC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C23H35N3O6/c1-14(9-21(28)26-12-15(2)7-16(3)13-26)8-20(27)24-25-23(29)17-10-18(30-4)22(32-6)19(11-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,24,27)(H,25,29)
InChIKeyMQDSKDRGUGLEHH-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.39
Rot. Bonds8

About N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide

N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 5219851) has the molecular formula C23H35N3O6 and a molecular weight of 449.55 g/mol. Its IUPAC name is N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID5219851
Molecular FormulaC23H35N3O6
Molecular Weight449.55 g/mol
Exact Mass449.25
IUPAC NameN'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC(C)CC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C23H35N3O6/c1-14(9-21(28)26-12-15(2)7-16(3)13-26)8-20(27)24-25-23(29)17-10-18(30-4)22(32-6)19(11-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,24,27)(H,25,29)
InChIKeyMQDSKDRGUGLEHH-UHFFFAOYSA-N
XLogP2.39
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide (CID 5219851) is N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)CC(C)CC(=O)N2CC(C)CC(C)C2)cc(OC)c1OC.
What is the InChIKey of N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is MQDSKDRGUGLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6/c1-14(9-21(28)26-12-15(2)7-16(3)13-26)8-20(27)24-25-23(29)17-10-18(30-4)22(32-6)19(11-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,24,27)(H,25,29).
What are the key properties of N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 449.55 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3,5-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 5219851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).