N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide

C16H24N3O2+ — CID 8904662

IUPACN'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)17-18-16(21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t12-,13-/m1/s1
InChIKeyORQUUFHORXPHOS-CHWSQXEVSA-O
MW290.39 g/mol
LogP0.01
Rot. Bonds3

About N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide

N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide (PubChem CID 8904662) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
PubChem CID8904662
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)17-18-16(21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t12-,13-/m1/s1
InChIKeyORQUUFHORXPHOS-CHWSQXEVSA-O
XLogP0.01
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854
methyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930705
3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
CID 7460108
N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8542721
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8930682
cis-[2-(2-benzoylhydrazinyl)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7776861
N'-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]benzohydrazide
CID 8758997
ethyl 2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930711
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide (CID 8904662) is N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide is C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide?
The InChIKey is ORQUUFHORXPHOS-CHWSQXEVSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)17-18-16(21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t12-,13-/m1/s1.
What are the key properties of N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide?
N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide has a molecular weight of 290.39 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 8904662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).