2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

C20H23FN4O3 — CID 120737468

IUPAC2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COCC(=O)N1CCNCC1c1cccc(F)c1)NCc1cccnc1
InChIInChI=1S/C20H23FN4O3/c21-17-5-1-4-16(9-17)18-12-23-7-8-25(18)20(27)14-28-13-19(26)24-11-15-3-2-6-22-10-15/h1-6,9-10,18,23H,7-8,11-14H2,(H,24,26)
InChIKeyFBYPVEOMHNUXRV-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 120737468) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID120737468
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COCC(=O)N1CCNCC1c1cccc(F)c1)NCc1cccnc1
InChIInChI=1S/C20H23FN4O3/c21-17-5-1-4-16(9-17)18-12-23-7-8-25(18)20(27)14-28-13-19(26)24-11-15-3-2-6-22-10-15/h1-6,9-10,18,23H,7-8,11-14H2,(H,24,26)
InChIKeyFBYPVEOMHNUXRV-UHFFFAOYSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120572330
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
3-(3-nitrophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730938

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 120737468) is 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is O=C(COCC(=O)N1CCNCC1c1cccc(F)c1)NCc1cccnc1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FBYPVEOMHNUXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-17-5-1-4-16(9-17)18-12-23-7-8-25(18)20(27)14-28-13-19(26)24-11-15-3-2-6-22-10-15/h1-6,9-10,18,23H,7-8,11-14H2,(H,24,26).
What are the key properties of 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 120737468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).