2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C14H17Cl3N2O2 — CID 115873788

IUPAC2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC1(O)CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3N2O2/c1-14(21)3-2-4-19(8-14)7-12(20)18-13-10(16)5-9(15)6-11(13)17/h5-6,21H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyXINLKBCOJAFXGO-UHFFFAOYSA-N
MW351.66 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 115873788) has the molecular formula C14H17Cl3N2O2 and a molecular weight of 351.66 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID115873788
Molecular FormulaC14H17Cl3N2O2
Molecular Weight351.66 g/mol
Exact Mass350.04
IUPAC Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC1(O)CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3N2O2/c1-14(21)3-2-4-19(8-14)7-12(20)18-13-10(16)5-9(15)6-11(13)17/h5-6,21H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyXINLKBCOJAFXGO-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 115874121
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
CID 107408147

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 115873788) is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is CC1(O)CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is XINLKBCOJAFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O2/c1-14(21)3-2-4-19(8-14)7-12(20)18-13-10(16)5-9(15)6-11(13)17/h5-6,21H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 351.66 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 115873788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).