2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

C14H16Cl4N2O2 — CID 60510321

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(CN1CCC(CO)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H16Cl4N2O2/c15-9-5-10(16)13(18)14(12(9)17)19-11(22)6-20-3-1-8(7-21)2-4-20/h5,8,21H,1-4,6-7H2,(H,19,22)
InChIKeyXEOBSOMEAQWUAT-UHFFFAOYSA-N
MW386.11 g/mol
LogP3.94
Rot. Bonds4

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 60510321) has the molecular formula C14H16Cl4N2O2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID60510321
Molecular FormulaC14H16Cl4N2O2
Molecular Weight386.11 g/mol
Exact Mass384.00
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(CN1CCC(CO)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H16Cl4N2O2/c15-9-5-10(16)13(18)14(12(9)17)19-11(22)6-20-3-1-8(7-21)2-4-20/h5,8,21H,1-4,6-7H2,(H,19,22)
InChIKeyXEOBSOMEAQWUAT-UHFFFAOYSA-N
XLogP3.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]piperidin-4-yl]carbamate
CID 60512864
2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55353545
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 86854756
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 167970559
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 60510321) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is O=C(CN1CCC(CO)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is XEOBSOMEAQWUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl4N2O2/c15-9-5-10(16)13(18)14(12(9)17)19-11(22)6-20-3-1-8(7-21)2-4-20/h5,8,21H,1-4,6-7H2,(H,19,22).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 386.11 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 60510321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).