2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

C14H19Cl2N3O — CID 43556501

IUPAC2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-9-2-3-11(15)14(13(9)16)18-12(20)8-19-6-4-10(17)5-7-19/h2-3,10H,4-8,17H2,1H3,(H,18,20)
InChIKeyHTGGDKHASYCDDL-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 43556501) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID43556501
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-9-2-3-11(15)14(13(9)16)18-12(20)8-19-6-4-10(17)5-7-19/h2-3,10H,4-8,17H2,1H3,(H,18,20)
InChIKeyHTGGDKHASYCDDL-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17494198
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448326
2-(4-aminopiperidin-1-yl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 79327471
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7952417
2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64618728
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 43556501) is 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is HTGGDKHASYCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-9-2-3-11(15)14(13(9)16)18-12(20)8-19-6-4-10(17)5-7-19/h2-3,10H,4-8,17H2,1H3,(H,18,20).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 43556501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).