N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

C16H22Cl2N2O2 — CID 111114146

IUPACN-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-10(20-7-5-12(6-8-20)11(2)21)16(22)19-15-4-3-13(17)9-14(15)18/h3-4,9-12,21H,5-8H2,1-2H3,(H,19,22)
InChIKeyPZAVIKJSIKVFNG-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.41
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111114146) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111114146
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-10(20-7-5-12(6-8-20)11(2)21)16(22)19-15-4-3-13(17)9-14(15)18/h3-4,9-12,21H,5-8H2,1-2H3,(H,19,22)
InChIKeyPZAVIKJSIKVFNG-UHFFFAOYSA-N
XLogP3.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114068
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111114146) is N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is CC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is PZAVIKJSIKVFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-10(20-7-5-12(6-8-20)11(2)21)16(22)19-15-4-3-13(17)9-14(15)18/h3-4,9-12,21H,5-8H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 345.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111114146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).