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

C22H28FN3O2 — CID 42224986

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O2/c1-18-5-2-3-6-21(18)28-17-22(27)24-11-4-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h2-3,5-10H,4,11-17H2,1H3,(H,24,27)
InChIKeyKCOOKJAPXMQNCU-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.84
Rot. Bonds8

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

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide (PubChem CID 42224986) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
PubChem CID42224986
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O2/c1-18-5-2-3-6-21(18)28-17-22(27)24-11-4-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h2-3,5-10H,4,11-17H2,1H3,(H,24,27)
InChIKeyKCOOKJAPXMQNCU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide (CID 42224986) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is KCOOKJAPXMQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-18-5-2-3-6-21(18)28-17-22(27)24-11-4-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h2-3,5-10H,4,11-17H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 385.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 42224986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).