2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

C22H22FN3O — CID 1439401

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O/c23-19-9-3-4-11-21(19)26-14-12-25(13-15-26)16-22(27)24-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,27)
InChIKeyAETJJPZTDPOOFI-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 1439401) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID1439401
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O/c23-19-9-3-4-11-21(19)26-14-12-25(13-15-26)16-22(27)24-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,27)
InChIKeyAETJJPZTDPOOFI-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 1439401) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is O=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is AETJJPZTDPOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-9-3-4-11-21(19)26-14-12-25(13-15-26)16-22(27)24-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,27).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 363.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).