3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide

C14H20N2O3 — CID 107703070

IUPAC3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2cc(O)cc(O)c2)N1
InChIInChI=1S/C14H20N2O3/c1-9-3-2-4-11(16-9)8-15-14(19)10-5-12(17)7-13(18)6-10/h5-7,9,11,16-18H,2-4,8H2,1H3,(H,15,19)
InChIKeyWNGYNXNIPTTYFC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds3

About 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide

3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 107703070) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
PubChem CID107703070
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2cc(O)cc(O)c2)N1
InChIInChI=1S/C14H20N2O3/c1-9-3-2-4-11(16-9)8-15-14(19)10-5-12(17)7-13(18)6-10/h5-7,9,11,16-18H,2-4,8H2,1H3,(H,15,19)
InChIKeyWNGYNXNIPTTYFC-UHFFFAOYSA-N
XLogP1.36
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107671386
2-fluoro-4-hydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107675740
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322988
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
CID 114218950
2-(4-methylphenyl)-N-[(6-methylpiperidin-2-yl)methyl]acetamide
CID 55057430
2,3-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322107
2-cyclopentyl-N-[(6-methylpiperidin-2-yl)methyl]acetamide
CID 62322637
N-[(6-methylpiperidin-2-yl)methyl]piperidine-1-carboxamide
CID 79156068
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
N-[(6-methylpiperidin-2-yl)methyl]oxolane-3-carboxamide
CID 62323168
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide (CID 107703070) is 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide is CC1CCCC(CNC(=O)c2cc(O)cc(O)c2)N1.
What is the InChIKey of 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is WNGYNXNIPTTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-3-2-4-11(16-9)8-15-14(19)10-5-12(17)7-13(18)6-10/h5-7,9,11,16-18H,2-4,8H2,1H3,(H,15,19).
What are the key properties of 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide?
3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 107703070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).