N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride

C24H33ClFN3O — CID 174378267

IUPACN-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccc(F)cc3C(C)C)CC2)cc1.Cl
InChIInChI=1S/C24H32FN3O.ClH/c1-18(2)23-16-22(25)8-9-24(23)28-14-12-27(13-15-28)17-21-6-4-20(5-7-21)10-11-26-19(3)29;/h4-9,16,18H,10-15,17H2,1-3H3,(H,26,29);1H
InChIKeyOUMWFQHXGPEHFE-UHFFFAOYSA-N
MW434.00 g/mol
LogP4.37
Rot. Bonds7

About N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride

N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride (PubChem CID 174378267) has the molecular formula C24H33ClFN3O and a molecular weight of 434.00 g/mol. Its IUPAC name is N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
PubChem CID174378267
Molecular FormulaC24H33ClFN3O
Molecular Weight434.00 g/mol
Exact Mass433.23
IUPAC NameN-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccc(F)cc3C(C)C)CC2)cc1.Cl
InChIInChI=1S/C24H32FN3O.ClH/c1-18(2)23-16-22(25)8-9-24(23)28-14-12-27(13-15-28)17-21-6-4-20(5-7-21)10-11-26-19(3)29;/h4-9,16,18H,10-15,17H2,1-3H3,(H,26,29);1H
InChIKeyOUMWFQHXGPEHFE-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[[4-(2-bromo-4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174367800
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
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N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
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N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
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N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36856314
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 11588436
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride (CID 174378267) is N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccc(CN2CCN(c3ccc(F)cc3C(C)C)CC2)cc1.Cl.
What is the InChIKey of N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is OUMWFQHXGPEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O.ClH/c1-18(2)23-16-22(25)8-9-24(23)28-14-12-27(13-15-28)17-21-6-4-20(5-7-21)10-11-26-19(3)29;/h4-9,16,18H,10-15,17H2,1-3H3,(H,26,29);1H.
What are the key properties of N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 174378267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).