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

C17H20ClN3O2 — CID 108922215

IUPACN-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-15-3-1-13(2-4-15)11-17(23)21-9-6-14(7-10-21)12-20-16(22)5-8-19/h1-4,14H,5-7,9-12H2,(H,20,22)
InChIKeyXYFISRIWTGQPRB-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.15
Rot. Bonds5

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

N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide (PubChem CID 108922215) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
PubChem CID108922215
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-15-3-1-13(2-4-15)11-17(23)21-9-6-14(7-10-21)12-20-16(22)5-8-19/h1-4,14H,5-7,9-12H2,(H,20,22)
InChIKeyXYFISRIWTGQPRB-UHFFFAOYSA-N
XLogP2.15
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922201
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922236
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
[3-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927286
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide (CID 108922215) is N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide is N#CCC(=O)NCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
The InChIKey is XYFISRIWTGQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-15-3-1-13(2-4-15)11-17(23)21-9-6-14(7-10-21)12-20-16(22)5-8-19/h1-4,14H,5-7,9-12H2,(H,20,22).
What are the key properties of N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide?
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide has a molecular weight of 333.82 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 108922215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).