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

C16H24N2O2 — CID 60642263

IUPACN-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCC(CO)C2)c1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,14,19H,2,4,6,8,10-12H2,1H3,(H,17,20)
InChIKeyUEQUDRDBILMWBU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60642263) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60642263
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCC(CO)C2)c1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,14,19H,2,4,6,8,10-12H2,1H3,(H,17,20)
InChIKeyUEQUDRDBILMWBU-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60642263) is N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCCC(CO)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is UEQUDRDBILMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,14,19H,2,4,6,8,10-12H2,1H3,(H,17,20).
What are the key properties of N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60642263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).