N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

C15H22ClF2N3O — CID 119918498

IUPACN-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2c(F)cccc2F)C1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-10(20-8-4-5-11(9-20)18-2)15(21)19-14-12(16)6-3-7-13(14)17;/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,19,21);1H
InChIKeyOXGVWVMFYTUJDZ-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.40
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (PubChem CID 119918498) has the molecular formula C15H22ClF2N3O and a molecular weight of 333.81 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
PubChem CID119918498
Molecular FormulaC15H22ClF2N3O
Molecular Weight333.81 g/mol
Exact Mass333.14
IUPAC NameN-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2c(F)cccc2F)C1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-10(20-8-4-5-11(9-20)18-2)15(21)19-14-12(16)6-3-7-13(14)17;/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,19,21);1H
InChIKeyOXGVWVMFYTUJDZ-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430854
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
CID 119918352
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119919119
N-(2,6-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 110884119
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (CID 119918498) is N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)Nc2c(F)cccc2F)C1.Cl.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is OXGVWVMFYTUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.ClH/c1-10(20-8-4-5-11(9-20)18-2)15(21)19-14-12(16)6-3-7-13(14)17;/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 333.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 119918498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).