N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

C17H22FN3O3 — CID 51221111

IUPACN-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)COc2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C17H22FN3O3/c18-13-2-1-3-15(10-13)24-12-17(23)21-8-6-20(7-9-21)11-16(22)19-14-4-5-14/h1-3,10,14H,4-9,11-12H2,(H,19,22)
InChIKeyYGOBVYARVGDJKO-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.63
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 51221111) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID51221111
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)COc2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C17H22FN3O3/c18-13-2-1-3-15(10-13)24-12-17(23)21-8-6-20(7-9-21)11-16(22)19-14-4-5-14/h1-3,10,14H,4-9,11-12H2,(H,19,22)
InChIKeyYGOBVYARVGDJKO-UHFFFAOYSA-N
XLogP0.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221112
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 31426569
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 51221111) is N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)COc2cccc(F)c2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is YGOBVYARVGDJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-2-1-3-15(10-13)24-12-17(23)21-8-6-20(7-9-21)11-16(22)19-14-4-5-14/h1-3,10,14H,4-9,11-12H2,(H,19,22).
What are the key properties of N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51221111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).