N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide

C14H19BrN2O — CID 54910115

IUPACN-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-10-8-12(15)2-3-13(10)17-14(18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyKFBSFSNLNJTGPE-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.09
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide

N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide (PubChem CID 54910115) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
PubChem CID54910115
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-10-8-12(15)2-3-13(10)17-14(18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyKFBSFSNLNJTGPE-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 103145405
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide (CID 54910115) is N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide is Cc1cc(Br)ccc1NC(=O)CC1CCNCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide?
The InChIKey is KFBSFSNLNJTGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-8-12(15)2-3-13(10)17-14(18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide?
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 54910115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).