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

C15H21BrN2O — CID 110863034

IUPACN-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CC1CCCCN1C
InChIInChI=1S/C15H21BrN2O/c1-11-9-12(16)6-7-14(11)17-15(19)10-13-5-3-4-8-18(13)2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyXBAMWCULGVXSRC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.57
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 110863034) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID110863034
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CC1CCCCN1C
InChIInChI=1S/C15H21BrN2O/c1-11-9-12(16)6-7-14(11)17-15(19)10-13-5-3-4-8-18(13)2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyXBAMWCULGVXSRC-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8790340
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide (CID 110863034) is N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide is Cc1cc(Br)ccc1NC(=O)CC1CCCCN1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is XBAMWCULGVXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-9-12(16)6-7-14(11)17-15(19)10-13-5-3-4-8-18(13)2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 110863034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).