2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide

C19H25N3O3 — CID 108922041

IUPAC2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)N2CCC(CNC(=O)CC#N)CC2)c1C
InChIInChI=1S/C19H25N3O3/c1-14-4-3-5-17(15(14)2)25-13-19(24)22-10-7-16(8-11-22)12-21-18(23)6-9-20/h3-5,16H,6-8,10-13H2,1-2H3,(H,21,23)
InChIKeyIDUBZDHECPEXHK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.95
Rot. Bonds6

About 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide

2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108922041) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID108922041
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)N2CCC(CNC(=O)CC#N)CC2)c1C
InChIInChI=1S/C19H25N3O3/c1-14-4-3-5-17(15(14)2)25-13-19(24)22-10-7-16(8-11-22)12-21-18(23)6-9-20/h3-5,16H,6-8,10-13H2,1-2H3,(H,21,23)
InChIKeyIDUBZDHECPEXHK-UHFFFAOYSA-N
XLogP1.95
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935286
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108922052
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108922060
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922213
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922201
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide (CID 108922041) is 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide is Cc1cccc(OCC(=O)N2CCC(CNC(=O)CC#N)CC2)c1C.
What is the InChIKey of 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is IDUBZDHECPEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-4-3-5-17(15(14)2)25-13-19(24)22-10-7-16(8-11-22)12-21-18(23)6-9-20/h3-5,16H,6-8,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide?
2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108922041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).