2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide

C18H23N3O2 — CID 108922213

IUPAC2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)N2CCC(CNC(=O)CC#N)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-14-2-4-15(5-3-14)12-18(23)21-10-7-16(8-11-21)13-20-17(22)6-9-19/h2-5,16H,6-8,10-13H2,1H3,(H,20,22)
InChIKeyWLQRPVYPTFGASY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.81
Rot. Bonds5

About 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide

2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108922213) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID108922213
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)N2CCC(CNC(=O)CC#N)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-14-2-4-15(5-3-14)12-18(23)21-10-7-16(8-11-21)13-20-17(22)6-9-19/h2-5,16H,6-8,10-13H2,1H3,(H,20,22)
InChIKeyWLQRPVYPTFGASY-UHFFFAOYSA-N
XLogP1.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
N-[[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922209
N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922201
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922041
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
ethyl [4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930171
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
CID 108922121

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide (CID 108922213) is 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide is Cc1ccc(CC(=O)N2CCC(CNC(=O)CC#N)CC2)cc1.
What is the InChIKey of 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WLQRPVYPTFGASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-2-4-15(5-3-14)12-18(23)21-10-7-16(8-11-21)13-20-17(22)6-9-19/h2-5,16H,6-8,10-13H2,1H3,(H,20,22).
What are the key properties of 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108922213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).