5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide

C14H20N2O3 — CID 68507262

IUPAC5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1cc(CO)ccc1N1CCC(CO)CC1
InChIInChI=1S/C14H20N2O3/c15-14(19)12-7-11(9-18)1-2-13(12)16-5-3-10(8-17)4-6-16/h1-2,7,10,17-18H,3-6,8-9H2,(H2,15,19)
InChIKeyOHASZAYKDWLYDJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.49
Rot. Bonds4

About 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide

5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide (PubChem CID 68507262) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
PubChem CID68507262
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1cc(CO)ccc1N1CCC(CO)CC1
InChIInChI=1S/C14H20N2O3/c15-14(19)12-7-11(9-18)1-2-13(12)16-5-3-10(8-17)4-6-16/h1-2,7,10,17-18H,3-6,8-9H2,(H2,15,19)
InChIKeyOHASZAYKDWLYDJ-UHFFFAOYSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide (CID 68507262) is 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide is NC(=O)c1cc(CO)ccc1N1CCC(CO)CC1.
What is the InChIKey of 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The InChIKey is OHASZAYKDWLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(19)12-7-11(9-18)1-2-13(12)16-5-3-10(8-17)4-6-16/h1-2,7,10,17-18H,3-6,8-9H2,(H2,15,19).
What are the key properties of 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 68507262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).