N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide

C26H29FN4O2 — CID 143257115

IUPACN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1
InChIInChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32)
InChIKeyLPUKUQAQYOIBJT-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.03
Rot. Bonds9

About N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide

N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide (PubChem CID 143257115) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
PubChem CID143257115
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1
InChIInChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32)
InChIKeyLPUKUQAQYOIBJT-UHFFFAOYSA-N
XLogP3.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-fluoro-2-(2-piperazin-1-ylethoxy)pyrimidin-5-yl]phenyl]-N-(pyridin-4-ylmethyl)acetamide
CID 123382770
2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 143257120
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000730
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 59000717
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190184
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]acetamide
CID 59000720
2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190221
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide (CID 143257115) is N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The InChIKey is LPUKUQAQYOIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32).
What are the key properties of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 143257115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).