2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide

C16H24BrN3O — CID 103441963

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCC(C)CC1CN
InChIInChI=1S/C16H24BrN3O/c1-11-5-6-20(14(7-11)9-18)10-16(21)19-15-4-3-13(17)8-12(15)2/h3-4,8,11,14H,5-7,9-10,18H2,1-2H3,(H,19,21)
InChIKeyBUQODVCQSUYFGC-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 103441963) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID103441963
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCC(C)CC1CN
InChIInChI=1S/C16H24BrN3O/c1-11-5-6-20(14(7-11)9-18)10-16(21)19-15-4-3-13(17)8-12(15)2/h3-4,8,11,14H,5-7,9-10,18H2,1-2H3,(H,19,21)
InChIKeyBUQODVCQSUYFGC-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63841061
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 103442124
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119926906
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 103441898
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103441761
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide (CID 103441963) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)CN1CCC(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is BUQODVCQSUYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11-5-6-20(14(7-11)9-18)10-16(21)19-15-4-3-13(17)8-12(15)2/h3-4,8,11,14H,5-7,9-10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 103441963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).