N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

C14H17BrN2O2 — CID 47336374

IUPACN-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O2/c1-10-6-8-17(9-7-10)14(19)13(18)16-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyUXVSUBNNTFQGDI-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.65
Rot. Bonds1

About N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 47336374) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID47336374
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O2/c1-10-6-8-17(9-7-10)14(19)13(18)16-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyUXVSUBNNTFQGDI-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 47345433
N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959216
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336291
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
2-(4-bromophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179624
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504654
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 47336374) is N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is UXVSUBNNTFQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-6-8-17(9-7-10)14(19)13(18)16-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 325.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).