N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide

C13H17Cl2N3O2 — CID 29031982

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(O)CC1
InChIInChI=1S/C13H17Cl2N3O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7,16H2,(H,17,20)
InChIKeyKEVIXZFDNBBLAG-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.97
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 29031982) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID29031982
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(O)CC1
InChIInChI=1S/C13H17Cl2N3O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7,16H2,(H,17,20)
InChIKeyKEVIXZFDNBBLAG-UHFFFAOYSA-N
XLogP1.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406947
N-(2-amino-4,6-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331165
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide
CID 83218850
2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 60641561
N-(2-amino-4,6-dichlorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 29041816

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide (CID 29031982) is N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(O)CC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is KEVIXZFDNBBLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7,16H2,(H,17,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 29031982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).