N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide

C16H24ClN3O — CID 103505319

IUPACN-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-11(2)12-5-7-20(8-6-12)10-16(21)19-15-9-13(17)3-4-14(15)18/h3-4,9,11-12H,5-8,10,18H2,1-2H3,(H,19,21)
InChIKeyHORPYSLLHSPANB-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.23
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide

N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 103505319) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
PubChem CID103505319
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-11(2)12-5-7-20(8-6-12)10-16(21)19-15-9-13(17)3-4-14(15)18/h3-4,9,11-12H,5-8,10,18H2,1-2H3,(H,19,21)
InChIKeyHORPYSLLHSPANB-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide (CID 103505319) is N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide is CC(C)C1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The InChIKey is HORPYSLLHSPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)12-5-7-20(8-6-12)10-16(21)19-15-9-13(17)3-4-14(15)18/h3-4,9,11-12H,5-8,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 103505319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).