N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide

C21H32N2O2 — CID 16895629

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-2-25-20-9-7-17(8-10-20)15-21(24)22-16-18-11-13-23(14-12-18)19-5-3-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,22,24)
InChIKeyMISWZCJXLUCIGB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.40
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 16895629) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID16895629
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-2-25-20-9-7-17(8-10-20)15-21(24)22-16-18-11-13-23(14-12-18)19-5-3-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,22,24)
InChIKeyMISWZCJXLUCIGB-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide (CID 16895629) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCC2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is MISWZCJXLUCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-25-20-9-7-17(8-10-20)15-21(24)22-16-18-11-13-23(14-12-18)19-5-3-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,22,24).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 16895629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).