4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide

C25H28N4O2 — CID 11464186

IUPAC4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H28N4O2/c1-17-6-4-14-26-23(17)21-8-3-9-22(24-18(2)7-5-15-27-24)29(21)16-19-10-12-20(13-11-19)25(30)28-31/h4-7,10-15,21-22,31H,3,8-9,16H2,1-2H3,(H,28,30)/t21-,22+
InChIKeyHIGALFXOQQHDSC-SZPZYZBQSA-N
MW416.53 g/mol
LogP4.68
Rot. Bonds5

About 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide

4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 11464186) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID11464186
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide
SMILESCc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H28N4O2/c1-17-6-4-14-26-23(17)21-8-3-9-22(24-18(2)7-5-15-27-24)29(21)16-19-10-12-20(13-11-19)25(30)28-31/h4-7,10-15,21-22,31H,3,8-9,16H2,1-2H3,(H,28,30)/t21-,22+
InChIKeyHIGALFXOQQHDSC-SZPZYZBQSA-N
XLogP4.68
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide 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 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide (CID 11464186) is 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide is Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is HIGALFXOQQHDSC-SZPZYZBQSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-6-4-14-26-23(17)21-8-3-9-22(24-18(2)7-5-15-27-24)29(21)16-19-10-12-20(13-11-19)25(30)28-31/h4-7,10-15,21-22,31H,3,8-9,16H2,1-2H3,(H,28,30)/t21-,22+.
What are the key properties of 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 416.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 11464186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).