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

C20H25FN4O2 — CID 120755770

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C20H25FN4O2/c1-24(11-12-27-19-7-3-2-6-17(19)21)20(26)15-25-10-9-23-14-18(25)16-5-4-8-22-13-16/h2-8,13,18,23H,9-12,14-15H2,1H3
InChIKeyKATAJEYNPGKXCU-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.70
Rot. Bonds7

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

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755770) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755770
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C20H25FN4O2/c1-24(11-12-27-19-7-3-2-6-17(19)21)20(26)15-25-10-9-23-14-18(25)16-5-4-8-22-13-16/h2-8,13,18,23H,9-12,14-15H2,1H3
InChIKeyKATAJEYNPGKXCU-UHFFFAOYSA-N
XLogP1.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755989
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754631
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
CID 120756006
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755770) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is CN(CCOc1ccccc1F)C(=O)CN1CCNCC1c1cccnc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is KATAJEYNPGKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-24(11-12-27-19-7-3-2-6-17(19)21)20(26)15-25-10-9-23-14-18(25)16-5-4-8-22-13-16/h2-8,13,18,23H,9-12,14-15H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).