N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide

C15H20N3O2+ — CID 8555130

IUPACN'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)C[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H19N3O2/c1-12(19)16-17-15(20)11-18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-7H,8-11H2,1H3,(H,16,19)(H,17,20)/p+1
InChIKeyYQKIUAXUODTMLA-UHFFFAOYSA-O
MW274.34 g/mol
LogP-0.47
Rot. Bonds3

About N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide

N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide (PubChem CID 8555130) has the molecular formula C15H20N3O2+ and a molecular weight of 274.34 g/mol. Its IUPAC name is N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide
PubChem CID8555130
Molecular FormulaC15H20N3O2+
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)C[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H19N3O2/c1-12(19)16-17-15(20)11-18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-7H,8-11H2,1H3,(H,16,19)(H,17,20)/p+1
InChIKeyYQKIUAXUODTMLA-UHFFFAOYSA-O
XLogP-0.47
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.47
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

N'-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]benzohydrazide
CID 8758997
N-(4-chlorophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759457
N-(3,4-dimethylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759293
N-(2-bromophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759524
ethyl 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 8759498
(2S)-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]-N-propylpropanamide
CID 8754290
methyl (2S)-3-phenyl-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]propanoate
CID 8754386
N-[(4-methoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759536
2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2117129
N-(2-chloro-4,6-dimethylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759007
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754286
N-(4-chloro-2-fluorophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759451

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide (CID 8555130) is N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide is CC(=O)NNC(=O)C[NH+]1CC=C(c2ccccc2)CC1.
What is the InChIKey of N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide?
The InChIKey is YQKIUAXUODTMLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O2/c1-12(19)16-17-15(20)11-18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-7H,8-11H2,1H3,(H,16,19)(H,17,20)/p+1.
What are the key properties of N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide?
N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide has a molecular weight of 274.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide is sourced from PubChem (CID 8555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).