N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C21H28ClFN4O — CID 120755925

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN1CCNCC1c1cccnc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C21H27FN4O.ClH/c1-15(2)21(16-5-7-18(22)8-6-16)25-20(27)14-26-11-10-24-13-19(26)17-4-3-9-23-12-17;/h3-9,12,15,19,21,24H,10-11,13-14H2,1-2H3,(H,25,27);1H
InChIKeyQDLCTIKQPMEEJP-UHFFFAOYSA-N
MW406.93 g/mol
LogP3.10
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755925) has the molecular formula C21H28ClFN4O and a molecular weight of 406.93 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755925
Molecular FormulaC21H28ClFN4O
Molecular Weight406.93 g/mol
Exact Mass406.19
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN1CCNCC1c1cccnc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C21H27FN4O.ClH/c1-15(2)21(16-5-7-18(22)8-6-16)25-20(27)14-26-11-10-24-13-19(26)17-4-3-9-23-12-17;/h3-9,12,15,19,21,24H,10-11,13-14H2,1-2H3,(H,25,27);1H
InChIKeyQDLCTIKQPMEEJP-UHFFFAOYSA-N
XLogP3.10
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870482
N-[1-(4-chlorophenyl)propyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754885
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755482
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755925) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is CC(C)C(NC(=O)CN1CCNCC1c1cccnc1)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is QDLCTIKQPMEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O.ClH/c1-15(2)21(16-5-7-18(22)8-6-16)25-20(27)14-26-11-10-24-13-19(26)17-4-3-9-23-12-17;/h3-9,12,15,19,21,24H,10-11,13-14H2,1-2H3,(H,25,27);1H.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 406.93 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).