N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide

C15H22BrN3O — CID 63248697

IUPACN-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-17-10-12-6-8-19(9-7-12)11-15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20)
InChIKeyDOFGAQWVKTXHAT-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.32
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63248697) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63248697
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC NameN-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-17-10-12-6-8-19(9-7-12)11-15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20)
InChIKeyDOFGAQWVKTXHAT-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
CID 120853962
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (CID 63248697) is N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is CNCC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is DOFGAQWVKTXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-17-10-12-6-8-19(9-7-12)11-15(20)18-14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 340.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63248697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).