2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

C15H18ClN3O2 — CID 63627311

IUPAC2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20)
InChIKeyVTGHRRDFBNBXGL-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (PubChem CID 63627311) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
PubChem CID63627311
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
SMILESN#CCN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20)
InChIKeyVTGHRRDFBNBXGL-UHFFFAOYSA-N
XLogP1.82
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide (CID 63627311) is 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is N#CCN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
The InChIKey is VTGHRRDFBNBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)18-13-5-8-19(9-6-13)10-7-17/h1-4,13H,5-6,8-11H2,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63627311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).