2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

C23H30N2O3 — CID 9405904

IUPAC2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C23H30N2O3/c26-23(24-14-7-17-25-15-5-2-6-16-25)19-28-22-12-10-21(11-13-22)27-18-20-8-3-1-4-9-20/h1,3-4,8-13H,2,5-7,14-19H2,(H,24,26)
InChIKeyIYJLGKLRLCBENA-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.64
Rot. Bonds10

About 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 9405904) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID9405904
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C23H30N2O3/c26-23(24-14-7-17-25-15-5-2-6-16-25)19-28-22-12-10-21(11-13-22)27-18-20-8-3-1-4-9-20/h1,3-4,8-13H,2,5-7,14-19H2,(H,24,26)
InChIKeyIYJLGKLRLCBENA-UHFFFAOYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (CID 9405904) is 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NCCCN1CCCCC1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is IYJLGKLRLCBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-23(24-14-7-17-25-15-5-2-6-16-25)19-28-22-12-10-21(11-13-22)27-18-20-8-3-1-4-9-20/h1,3-4,8-13H,2,5-7,14-19H2,(H,24,26).
What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 9405904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).