2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide

C14H19Br2N3O — CID 102977405

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CCC[C@@H](N)C2)c(Br)c1
InChIInChI=1S/C14H19Br2N3O/c1-9-5-11(15)14(12(16)6-9)18-13(20)8-19-4-2-3-10(17)7-19/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyKMMGFZMLAZMLKQ-SNVBAGLBSA-N
MW405.13 g/mol
LogP2.88
Rot. Bonds3

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 102977405) has the molecular formula C14H19Br2N3O and a molecular weight of 405.13 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID102977405
Molecular FormulaC14H19Br2N3O
Molecular Weight405.13 g/mol
Exact Mass402.99
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CCC[C@@H](N)C2)c(Br)c1
InChIInChI=1S/C14H19Br2N3O/c1-9-5-11(15)14(12(16)6-9)18-13(20)8-19-4-2-3-10(17)7-19/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyKMMGFZMLAZMLKQ-SNVBAGLBSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2402497
N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79835065
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 102977405) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CN2CCC[C@@H](N)C2)c(Br)c1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is KMMGFZMLAZMLKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19Br2N3O/c1-9-5-11(15)14(12(16)6-9)18-13(20)8-19-4-2-3-10(17)7-19/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 405.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 102977405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).