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

C22H28FN3O2 — CID 8804901

IUPACN-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H28FN3O2/c1-18-4-2-5-21(16-18)28-15-3-10-25-11-13-26(14-12-25)17-22(27)24-20-8-6-19(23)7-9-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27)
InChIKeySLSIOTWQALSWIM-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.16
Rot. Bonds8

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

N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 8804901) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
PubChem CID8804901
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H28FN3O2/c1-18-4-2-5-21(16-18)28-15-3-10-25-11-13-26(14-12-25)17-22(27)24-20-8-6-19(23)7-9-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27)
InChIKeySLSIOTWQALSWIM-UHFFFAOYSA-N
XLogP3.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 51260666
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide (CID 8804901) is N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide is Cc1cccc(OCCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is SLSIOTWQALSWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-18-4-2-5-21(16-18)28-15-3-10-25-11-13-26(14-12-25)17-22(27)24-20-8-6-19(23)7-9-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.16, 8 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-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8804901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).