2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide

C20H24N2O3 — CID 110877824

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-15-16-7-6-12-22(13-16)14-20(24)21-18-10-4-5-11-19(18)25-17-8-2-1-3-9-17/h1-5,8-11,16,23H,6-7,12-15H2,(H,21,24)
InChIKeyBISJHBSBRDHPMX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.12
Rot. Bonds6

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 110877824) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID110877824
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-15-16-7-6-12-22(13-16)14-20(24)21-18-10-4-5-11-19(18)25-17-8-2-1-3-9-17/h1-5,8-11,16,23H,6-7,12-15H2,(H,21,24)
InChIKeyBISJHBSBRDHPMX-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110878848
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 100643134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide (CID 110877824) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide is O=C(CN1CCCC(CO)C1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is BISJHBSBRDHPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-15-16-7-6-12-22(13-16)14-20(24)21-18-10-4-5-11-19(18)25-17-8-2-1-3-9-17/h1-5,8-11,16,23H,6-7,12-15H2,(H,21,24).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 110877824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).