3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide

C14H21N3O — CID 63568661

IUPAC3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1CCCN(Cc2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C14H21N3O/c1-11-4-3-7-17(9-11)10-12-5-2-6-13(8-12)14(18)16-15/h2,5-6,8,11H,3-4,7,9-10,15H2,1H3,(H,16,18)
InChIKeyWNRSUCWSBOICKS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds3

About 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide

3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 63568661) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID63568661
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1CCCN(Cc2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C14H21N3O/c1-11-4-3-7-17(9-11)10-12-5-2-6-13(8-12)14(18)16-15/h2,5-6,8,11H,3-4,7,9-10,15H2,1H3,(H,16,18)
InChIKeyWNRSUCWSBOICKS-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
3-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 95132433
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide (CID 63568661) is 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide is CC1CCCN(Cc2cccc(C(=O)NN)c2)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is WNRSUCWSBOICKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-3-7-17(9-11)10-12-5-2-6-13(8-12)14(18)16-15/h2,5-6,8,11H,3-4,7,9-10,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide?
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63568661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).