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

C16H18ClN3O2 — CID 108922333

IUPACN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-12(14)11-16(22)20-9-6-13(7-10-20)19-15(21)5-8-18/h1-4,13H,5-7,9-11H2,(H,19,21)
InChIKeyAKDGFXMFICUPEI-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.90
Rot. Bonds4

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

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide (PubChem CID 108922333) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
PubChem CID108922333
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-12(14)11-16(22)20-9-6-13(7-10-20)19-15(21)5-8-18/h1-4,13H,5-7,9-11H2,(H,19,21)
InChIKeyAKDGFXMFICUPEI-UHFFFAOYSA-N
XLogP1.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63626961
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108558978
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide (CID 108922333) is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide is N#CCC(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide?
The InChIKey is AKDGFXMFICUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-12(14)11-16(22)20-9-6-13(7-10-20)19-15(21)5-8-18/h1-4,13H,5-7,9-11H2,(H,19,21).
What are the key properties of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide?
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide has a molecular weight of 319.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide is sourced from PubChem (CID 108922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).