2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C21H29N3O2 — CID 2468296

IUPAC2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H29N3O2/c22-15-18-9-3-4-10-19(18)26-16-20(25)23-17-21(11-5-1-6-12-21)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-14,16-17H2,(H,23,25)
InChIKeyWDLKEOYFIFMYNT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2468296) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2468296
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H29N3O2/c22-15-18-9-3-4-10-19(18)26-16-20(25)23-17-21(11-5-1-6-12-21)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-14,16-17H2,(H,23,25)
InChIKeyWDLKEOYFIFMYNT-UHFFFAOYSA-N
XLogP3.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2468296) is 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is N#Cc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is WDLKEOYFIFMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c22-15-18-9-3-4-10-19(18)26-16-20(25)23-17-21(11-5-1-6-12-21)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-14,16-17H2,(H,23,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2468296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).