2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide

C16H23BrN2O — CID 75439407

IUPAC2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(Cc2ccc(C)cc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-12-3-4-14(15(17)9-12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyKNOJBDRYMFPPAR-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide

2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 75439407) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID75439407
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(Cc2ccc(C)cc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-12-3-4-14(15(17)9-12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyKNOJBDRYMFPPAR-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 91648633
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
CID 102774559
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 102774701
N-(2-bromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267385
3-bromo-4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 102767053

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide (CID 75439407) is 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(Cc2ccc(C)cc2Br)CC1.
What is the InChIKey of 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is KNOJBDRYMFPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12-3-4-14(15(17)9-12)11-19-7-5-13(6-8-19)10-16(20)18-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 339.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-4-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 75439407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).