N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide

C21H26FN3O2 — CID 8719245

IUPACN-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-17-3-2-4-20(15-17)27-14-13-24-9-11-25(12-10-24)16-21(26)23-19-7-5-18(22)6-8-19/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKeyFCEXPPLYCFNEGI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.77
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide (PubChem CID 8719245) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
PubChem CID8719245
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O2/c1-17-3-2-4-20(15-17)27-14-13-24-9-11-25(12-10-24)16-21(26)23-19-7-5-18(22)6-8-19/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKeyFCEXPPLYCFNEGI-UHFFFAOYSA-N
XLogP2.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide (CID 8719245) is N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide is Cc1cccc(OCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide?
The InChIKey is FCEXPPLYCFNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-17-3-2-4-20(15-17)27-14-13-24-9-11-25(12-10-24)16-21(26)23-19-7-5-18(22)6-8-19/h2-8,15H,9-14,16H2,1H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).