2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C21H32N2O2 — CID 2105519

IUPAC2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-25-19-10-8-18(9-11-19)16-20(24)22-17-21(12-4-2-5-13-21)23-14-6-3-7-15-23/h8-11H,2-7,12-17H2,1H3,(H,22,24)
InChIKeyAAZPTEPQCGVBRY-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2105519) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2105519
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-25-19-10-8-18(9-11-19)16-20(24)22-17-21(12-4-2-5-13-21)23-14-6-3-7-15-23/h8-11H,2-7,12-17H2,1H3,(H,22,24)
InChIKeyAAZPTEPQCGVBRY-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2105519) is 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is COc1ccc(CC(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is AAZPTEPQCGVBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-25-19-10-8-18(9-11-19)16-20(24)22-17-21(12-4-2-5-13-21)23-14-6-3-7-15-23/h8-11H,2-7,12-17H2,1H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2105519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).