N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide

C16H22Cl2N2O2 — CID 111107084

IUPACN-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(21)14-7-2-3-9-20(14)10-8-15(22)19-16-12(17)5-4-6-13(16)18/h4-6,11,14,21H,2-3,7-10H2,1H3,(H,19,22)
InChIKeyOKPFKFDHBCQDHL-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.56
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111107084) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111107084
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(21)14-7-2-3-9-20(14)10-8-15(22)19-16-12(17)5-4-6-13(16)18/h4-6,11,14,21H,2-3,7-10H2,1H3,(H,19,22)
InChIKeyOKPFKFDHBCQDHL-UHFFFAOYSA-N
XLogP3.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinepropionanilide, 2',4'-dichloro-beta-methyl-
CID 3065025
1-Piperidinepropionanilide, 2',6'-dichloro-beta-methyl-
CID 3065782
N-(2,6-dichlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31993366
N-(2-chlorophenyl)-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 53582620
N-(2,6-dichlorophenyl)-3-[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 96549668
N-(2,5-dichlorophenyl)-3-[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]propanamide
CID 132323916
N-(2-chloro-4-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 45766714
N-(4-chloro-2-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 45772776
N-(2-chloro-4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685135
N-(3-Chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-YL)propanamide
CID 91835836
N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107484961
N-(2-chloro-4-fluorophenyl)-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 109621618

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111107084) is N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide is CC(O)C1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is OKPFKFDHBCQDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(21)14-7-2-3-9-20(14)10-8-15(22)19-16-12(17)5-4-6-13(16)18/h4-6,11,14,21H,2-3,7-10H2,1H3,(H,19,22).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 345.27 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111107084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).