N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide

C17H26N2O2 — CID 82216315

IUPACN-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-6-13(2)19(12)11-17(21)15-7-9-16(10-8-15)18-14(3)20/h7-10,12-13,17,21H,4-6,11H2,1-3H3,(H,18,20)
InChIKeyHAXNKZNNSATUBP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds4

About N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide

N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide (PubChem CID 82216315) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
PubChem CID82216315
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-6-13(2)19(12)11-17(21)15-7-9-16(10-8-15)18-14(3)20/h7-10,12-13,17,21H,4-6,11H2,1-3H3,(H,18,20)
InChIKeyHAXNKZNNSATUBP-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 113246645
1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216330
N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
CID 86739754
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
CID 171268634
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 42900565
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide (CID 82216315) is N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide is CC(=O)Nc1ccc(C(O)CN2C(C)CCCC2C)cc1.
What is the InChIKey of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is HAXNKZNNSATUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-4-6-13(2)19(12)11-17(21)15-7-9-16(10-8-15)18-14(3)20/h7-10,12-13,17,21H,4-6,11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide?
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 82216315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).