N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide

C17H20BrN3O2 — CID 108922201

IUPACN-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C17H20BrN3O2/c18-15-4-2-1-3-14(15)11-17(23)21-9-6-13(7-10-21)12-20-16(22)5-8-19/h1-4,13H,5-7,9-12H2,(H,20,22)
InChIKeyKWRCVHXEVBBGNV-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide

N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide (PubChem CID 108922201) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
PubChem CID108922201
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC NameN-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C17H20BrN3O2/c18-15-4-2-1-3-14(15)11-17(23)21-9-6-13(7-10-21)12-20-16(22)5-8-19/h1-4,13H,5-7,9-12H2,(H,20,22)
InChIKeyKWRCVHXEVBBGNV-UHFFFAOYSA-N
XLogP2.26
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
2-bromo-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]benzamide
CID 108921968
2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922213
N-[[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922209
tert-butyl N-[3-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919459
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922041
2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
CID 108922121
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide (CID 108922201) is N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide is N#CCC(=O)NCC1CCN(C(=O)Cc2ccccc2Br)CC1.
What is the InChIKey of N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The InChIKey is KWRCVHXEVBBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c18-15-4-2-1-3-14(15)11-17(23)21-9-6-13(7-10-21)12-20-16(22)5-8-19/h1-4,13H,5-7,9-12H2,(H,20,22).
What are the key properties of N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide has a molecular weight of 378.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 108922201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).