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

C18H23N3O3 — CID 108548368

IUPAC2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CC#N)CC2)cc1C
InChIInChI=1S/C18H23N3O3/c1-13-3-4-16(11-14(13)2)24-12-18(23)21-9-6-15(7-10-21)20-17(22)5-8-19/h3-4,11,15H,5-7,9-10,12H2,1-2H3,(H,20,22)
InChIKeyRXDAPWCVKDEUDJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds5

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

2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108548368) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108548368
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CC#N)CC2)cc1C
InChIInChI=1S/C18H23N3O3/c1-13-3-4-16(11-14(13)2)24-12-18(23)21-9-6-15(7-10-21)20-17(22)5-8-19/h3-4,11,15H,5-7,9-10,12H2,1-2H3,(H,20,22)
InChIKeyRXDAPWCVKDEUDJ-UHFFFAOYSA-N
XLogP1.70
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108548368) is 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)CC#N)CC2)cc1C.
What is the InChIKey of 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is RXDAPWCVKDEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-3-4-16(11-14(13)2)24-12-18(23)21-9-6-15(7-10-21)20-17(22)5-8-19/h3-4,11,15H,5-7,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.70, 5 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-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).