2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide

C17H23N3O3 — CID 4611826

IUPAC2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide
SMILESC=C(CC(=O)N1CCCCC1)NNC(=O)c1cccc(C)c1O
InChIInChI=1S/C17H23N3O3/c1-12-7-6-8-14(16(12)22)17(23)19-18-13(2)11-15(21)20-9-4-3-5-10-20/h6-8,18,22H,2-5,9-11H2,1H3,(H,19,23)
InChIKeyNEJPTEKXFCPYLY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.85
Rot. Bonds5

About 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide

2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide (PubChem CID 4611826) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide
PubChem CID4611826
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide
SMILESC=C(CC(=O)N1CCCCC1)NNC(=O)c1cccc(C)c1O
InChIInChI=1S/C17H23N3O3/c1-12-7-6-8-14(16(12)22)17(23)19-18-13(2)11-15(21)20-9-4-3-5-10-20/h6-8,18,22H,2-5,9-11H2,1H3,(H,19,23)
InChIKeyNEJPTEKXFCPYLY-UHFFFAOYSA-N
XLogP1.85
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-3-methylphenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 89357821
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
3-[(2-hydroxy-3-methylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115904834
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide?
The IUPAC name of 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide (CID 4611826) is 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide.
What is the SMILES notation for 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide?
The canonical SMILES for 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide is C=C(CC(=O)N1CCCCC1)NNC(=O)c1cccc(C)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide?
The InChIKey is NEJPTEKXFCPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-7-6-8-14(16(12)22)17(23)19-18-13(2)11-15(21)20-9-4-3-5-10-20/h6-8,18,22H,2-5,9-11H2,1H3,(H,19,23).
What are the key properties of 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide?
2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide has a molecular weight of 317.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N'-(4-oxo-4-piperidin-1-ylbut-1-en-2-yl)benzohydrazide is sourced from PubChem (CID 4611826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).