N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide

C13H18ClN3O2 — CID 16791482

IUPACN-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-7-9(15)1-2-12(11)16-13(19)8-17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19)
InChIKeyWHPSMJDLFDTHTB-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.32
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 16791482) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID16791482
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-7-9(15)1-2-12(11)16-13(19)8-17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19)
InChIKeyWHPSMJDLFDTHTB-UHFFFAOYSA-N
XLogP1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.32
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-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531130
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide (CID 16791482) is N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide is Nc1ccc(NC(=O)CN2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is WHPSMJDLFDTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-7-9(15)1-2-12(11)16-13(19)8-17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 16791482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).