N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide

C16H24ClN3O — CID 43080187

IUPACN-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCC(C)N1CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H24ClN3O/c1-11-4-3-5-12(2)20(11)9-8-16(21)19-13-6-7-14(17)15(18)10-13/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,19,21)
InChIKeyKLIWRGYTZHIQNR-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.51
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide (PubChem CID 43080187) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
PubChem CID43080187
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCC(C)N1CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H24ClN3O/c1-11-4-3-5-12(2)20(11)9-8-16(21)19-13-6-7-14(17)15(18)10-13/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,19,21)
InChIKeyKLIWRGYTZHIQNR-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
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N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
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CID 63595580
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 80579065
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
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N-(3-amino-4-chlorophenyl)decanamide
CID 65447970

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide (CID 43080187) is N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide is CC1CCCC(C)N1CCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide?
The InChIKey is KLIWRGYTZHIQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11-4-3-5-12(2)20(11)9-8-16(21)19-13-6-7-14(17)15(18)10-13/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43080187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).