2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide

C16H23BrN2O — CID 18668140

IUPAC2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-18(11-12-19-9-3-2-4-10-19)16(20)13-14-5-7-15(17)8-6-14/h5-8H,2-4,9-13H2,1H3
InChIKeyXQMFVMPKETXDHX-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide

2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 18668140) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID18668140
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-18(11-12-19-9-3-2-4-10-19)16(20)13-14-5-7-15(17)8-6-14/h5-8H,2-4,9-13H2,1H3
InChIKeyXQMFVMPKETXDHX-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 42697562
2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 84599769
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide (CID 18668140) is 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide is CN(CCN1CCCCC1)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is XQMFVMPKETXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-18(11-12-19-9-3-2-4-10-19)16(20)13-14-5-7-15(17)8-6-14/h5-8H,2-4,9-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 339.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 18668140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).