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

C17H26N2O2 — CID 111106782

IUPACN-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCCC2C(C)O)c1
InChIInChI=1S/C17H26N2O2/c1-3-14-7-6-8-15(11-14)18-17(21)12-19-10-5-4-9-16(19)13(2)20/h6-8,11,13,16,20H,3-5,9-10,12H2,1-2H3,(H,18,21)
InChIKeyBAGKRPWGQIOTEB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 111106782) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID111106782
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCCCC2C(C)O)c1
InChIInChI=1S/C17H26N2O2/c1-3-14-7-6-8-15(11-14)18-17(21)12-19-10-5-4-9-16(19)13(2)20/h6-8,11,13,16,20H,3-5,9-10,12H2,1-2H3,(H,18,21)
InChIKeyBAGKRPWGQIOTEB-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
N-(3-fluorophenyl)-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63855022
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111107012
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide (CID 111106782) is N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCCCC2C(C)O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is BAGKRPWGQIOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-7-6-8-15(11-14)18-17(21)12-19-10-5-4-9-16(19)13(2)20/h6-8,11,13,16,20H,3-5,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 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-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111106782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).