3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide

C15H23N3O — CID 63577694

IUPAC3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCC1CCN(Cc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)11-13-4-3-5-14(10-13)15(19)17-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19)
InChIKeyRVJRAFAMCSKORU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds4

About 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide

3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 63577694) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID63577694
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCC1CCN(Cc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)11-13-4-3-5-14(10-13)15(19)17-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19)
InChIKeyRVJRAFAMCSKORU-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
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-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
methyl 3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]benzoate;hydrochloride
CID 120842629
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide (CID 63577694) is 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide is CCC1CCN(Cc2cccc(C(=O)NN)c2)CC1.
What is the InChIKey of 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is RVJRAFAMCSKORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)11-13-4-3-5-14(10-13)15(19)17-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19).
What are the key properties of 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide?
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63577694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).