N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C19H23FN4O2 — CID 120754797

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NCCOc1cccc(F)c1
InChIInChI=1S/C19H23FN4O2/c20-16-4-1-5-17(11-16)26-10-8-23-19(25)14-24-9-7-22-13-18(24)15-3-2-6-21-12-15/h1-6,11-12,18,22H,7-10,13-14H2,(H,23,25)
InChIKeyCXSLLKTZTBTGFV-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120754797) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120754797
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NCCOc1cccc(F)c1
InChIInChI=1S/C19H23FN4O2/c20-16-4-1-5-17(11-16)26-10-8-23-19(25)14-24-9-7-22-13-18(24)15-3-2-6-21-12-15/h1-6,11-12,18,22H,7-10,13-14H2,(H,23,25)
InChIKeyCXSLLKTZTBTGFV-UHFFFAOYSA-N
XLogP1.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755786
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
N-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754400

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120754797) is N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is O=C(CN1CCNCC1c1cccnc1)NCCOc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is CXSLLKTZTBTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-16-4-1-5-17(11-16)26-10-8-23-19(25)14-24-9-7-22-13-18(24)15-3-2-6-21-12-15/h1-6,11-12,18,22H,7-10,13-14H2,(H,23,25).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120754797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).