2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide

C14H18N2O4 — CID 107224218

IUPAC2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N2O4/c15-14(19)11-5-1-2-6-12(11)20-9-13(18)16-7-3-4-10(17)8-16/h1-2,5-6,10,17H,3-4,7-9H2,(H2,15,19)/t10-/m0/s1
InChIKeyXQTRWALXTMKONX-JTQLQIEISA-N
MW278.31 g/mol
LogP0.15
Rot. Bonds4

About 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide

2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 107224218) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID107224218
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N2O4/c15-14(19)11-5-1-2-6-12(11)20-9-13(18)16-7-3-4-10(17)8-16/h1-2,5-6,10,17H,3-4,7-9H2,(H2,15,19)/t10-/m0/s1
InChIKeyXQTRWALXTMKONX-JTQLQIEISA-N
XLogP0.15
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
2-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 102957824
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 107224280
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide (CID 107224218) is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is XQTRWALXTMKONX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(19)11-5-1-2-6-12(11)20-9-13(18)16-7-3-4-10(17)8-16/h1-2,5-6,10,17H,3-4,7-9H2,(H2,15,19)/t10-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide?
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 278.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 107224218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).