N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

C14H21ClFN3O — CID 119924446

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)NCc2ccc(F)cc2)CCN1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-11-9-18(7-6-16-11)10-14(19)17-8-12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3,(H,17,19);1H
InChIKeyIXZMWVMHWYWUDK-UHFFFAOYSA-N
MW301.79 g/mol
LogP1.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119924446) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119924446
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)NCc2ccc(F)cc2)CCN1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-11-9-18(7-6-16-11)10-14(19)17-8-12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3,(H,17,19);1H
InChIKeyIXZMWVMHWYWUDK-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-(4-amino-3-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 81451256
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
(3S,4S)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953717
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 68527749

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119924446) is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is CC1CN(CC(=O)NCc2ccc(F)cc2)CCN1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is IXZMWVMHWYWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.ClH/c1-11-9-18(7-6-16-11)10-14(19)17-8-12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3,(H,17,19);1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 301.79 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119924446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).