N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C22H29FN4O — CID 3236544

IUPACN-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H29FN4O/c1-3-26(4-2)19-11-9-18(10-12-19)24-22(28)17-25-13-15-27(16-14-25)21-8-6-5-7-20(21)23/h5-12H,3-4,13-17H2,1-2H3,(H,24,28)
InChIKeyZWIFTROOHFHVDI-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3236544) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3236544
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC NameN-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H29FN4O/c1-3-26(4-2)19-11-9-18(10-12-19)24-22(28)17-25-13-15-27(16-14-25)21-8-6-5-7-20(21)23/h5-12H,3-4,13-17H2,1-2H3,(H,24,28)
InChIKeyZWIFTROOHFHVDI-UHFFFAOYSA-N
XLogP3.43
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
CID 2783055
Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
N-Phenyl-1-piperidineacetamide
CID 78402
N-(4-(Diethylamino)phenyl)acetamide
CID 21400
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
GW791343
CID 9848160
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
CID 10359019
1-(4-Phenylpiperazino)-2-piperidinoethan-1-one
CID 567074
Ethyl 4-(2-((4-fluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
CID 931206

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 3236544) is N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is ZWIFTROOHFHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-3-26(4-2)19-11-9-18(10-12-19)24-22(28)17-25-13-15-27(16-14-25)21-8-6-5-7-20(21)23/h5-12H,3-4,13-17H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3236544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).