N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride

C16H25ClFN3O — CID 120663420

IUPACN-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CCC1CCNCC1)CC(=O)Nc1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-20(10-7-13-5-8-18-9-6-13)12-16(21)19-15-4-2-3-14(17)11-15;/h2-4,11,13,18H,5-10,12H2,1H3,(H,19,21);1H
InChIKeyASRMHVHXNYRMEQ-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.51
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride

N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride (PubChem CID 120663420) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
PubChem CID120663420
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC NameN-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CCC1CCNCC1)CC(=O)Nc1cccc(F)c1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-20(10-7-13-5-8-18-9-6-13)12-16(21)19-15-4-2-3-14(17)11-15;/h2-4,11,13,18H,5-10,12H2,1H3,(H,19,21);1H
InChIKeyASRMHVHXNYRMEQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120980407
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CID 2714145
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 166265170
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride (CID 120663420) is N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride is CN(CCC1CCNCC1)CC(=O)Nc1cccc(F)c1.Cl.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride?
The InChIKey is ASRMHVHXNYRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-20(10-7-13-5-8-18-9-6-13)12-16(21)19-15-4-2-3-14(17)11-15;/h2-4,11,13,18H,5-10,12H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride?
N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 120663420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).