3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide

C15H23N3O2 — CID 107408896

IUPAC3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
SMILESCC1(O)CCCN(Cc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(20)6-3-8-18(9-7-15)11-12-4-2-5-13(10-12)14(19)17-16/h2,4-5,10,20H,3,6-9,11,16H2,1H3,(H,17,19)
InChIKeyGBSCCUSFCBNDRK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds3

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

3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide (PubChem CID 107408896) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
PubChem CID107408896
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
SMILESCC1(O)CCCN(Cc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(20)6-3-8-18(9-7-15)11-12-4-2-5-13(10-12)14(19)17-16/h2,4-5,10,20H,3,6-9,11,16H2,1H3,(H,17,19)
InChIKeyGBSCCUSFCBNDRK-UHFFFAOYSA-N
XLogP1.03
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
3-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 81096786
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119567704
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 107408898
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
1-benzyl-4-methylpiperidin-4-ol
CID 10845913

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide (CID 107408896) is 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide is CC1(O)CCCN(Cc2cccc(C(=O)NN)c2)CC1.
What is the InChIKey of 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide?
The InChIKey is GBSCCUSFCBNDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(20)6-3-8-18(9-7-15)11-12-4-2-5-13(10-12)14(19)17-16/h2,4-5,10,20H,3,6-9,11,16H2,1H3,(H,17,19).
What are the key properties of 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide?
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide has a molecular weight of 277.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 107408896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).