3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C14H20N2O3 — CID 104938964

IUPAC3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-16-4-2-10(3-5-16)9-15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19)
InChIKeyVXJPIGQACBDKAS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds3

About 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide

3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 104938964) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID104938964
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-16-4-2-10(3-5-16)9-15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19)
InChIKeyVXJPIGQACBDKAS-UHFFFAOYSA-N
XLogP1.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614849
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 104938964) is 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is VXJPIGQACBDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-4-2-10(3-5-16)9-15-14(19)11-6-12(17)8-13(18)7-11/h6-8,10,17-18H,2-5,9H2,1H3,(H,15,19).
What are the key properties of 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 104938964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).