2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide

C16H25N3O — CID 105352123

IUPAC2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C16H25N3O/c1-12-4-3-5-13(2)19(12)11-15-8-6-14(7-9-15)10-16(20)18-17/h6-9,12-13H,3-5,10-11,17H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyWABAFGCGQWWAAC-BETUJISGSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide

2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 105352123) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
PubChem CID105352123
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C16H25N3O/c1-12-4-3-5-13(2)19(12)11-15-8-6-14(7-9-15)10-16(20)18-17/h6-9,12-13H,3-5,10-11,17H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyWABAFGCGQWWAAC-BETUJISGSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
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'}

Analyze 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide (CID 105352123) is 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide is C[C@@H]1CCC[C@H](C)N1Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is WABAFGCGQWWAAC-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-3-5-13(2)19(12)11-15-8-6-14(7-9-15)10-16(20)18-17/h6-9,12-13H,3-5,10-11,17H2,1-2H3,(H,18,20)/t12-,13+.
What are the key properties of 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide?
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).