N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride

C15H22ClF2N3O — CID 119931387

IUPACN-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-20(9-11-3-2-4-18-8-11)10-15(21)19-14-6-12(16)5-13(17)7-14;/h5-7,11,18H,2-4,8-10H2,1H3,(H,19,21);1H
InChIKeyQKEOJAQCLVHEFQ-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.26
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride

N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride (PubChem CID 119931387) has the molecular formula C15H22ClF2N3O and a molecular weight of 333.81 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride
PubChem CID119931387
Molecular FormulaC15H22ClF2N3O
Molecular Weight333.81 g/mol
Exact Mass333.14
IUPAC NameN-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-20(9-11-3-2-4-18-8-11)10-15(21)19-14-6-12(16)5-13(17)7-14;/h5-7,11,18H,2-4,8-10H2,1H3,(H,19,21);1H
InChIKeyQKEOJAQCLVHEFQ-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride
CID 119929541
N-(2,6-dimethylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815623
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
2-[[2-[methyl(piperidin-3-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 106637147
N-(2-methylbutan-2-yl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636496
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride (CID 119931387) is N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride is CN(CC(=O)Nc1cc(F)cc(F)c1)CC1CCCNC1.Cl.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride?
The InChIKey is QKEOJAQCLVHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.ClH/c1-20(9-11-3-2-4-18-8-11)10-15(21)19-14-6-12(16)5-13(17)7-14;/h5-7,11,18H,2-4,8-10H2,1H3,(H,19,21);1H.
What are the key properties of N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride?
N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride has a molecular weight of 333.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119931387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).