N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C16H26Cl2FN3O — CID 119884155

IUPACN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC1CCCN(c2cccc(F)c2)C1.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-12(10-18-2)16(21)19-14-6-4-8-20(11-14)15-7-3-5-13(17)9-15;;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3,(H,19,21);2*1H
InChIKeyUDYWAHDXBQPOBI-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119884155) has the molecular formula C16H26Cl2FN3O and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119884155
Molecular FormulaC16H26Cl2FN3O
Molecular Weight366.31 g/mol
Exact Mass365.14
IUPAC NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC1CCCN(c2cccc(F)c2)C1.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-12(10-18-2)16(21)19-14-6-4-8-20(11-14)15-7-3-5-13(17)9-15;;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3,(H,19,21);2*1H
InChIKeyUDYWAHDXBQPOBI-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 154748763
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119884155) is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NC1CCCN(c2cccc(F)c2)C1.Cl.Cl.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is UDYWAHDXBQPOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.2ClH/c1-12(10-18-2)16(21)19-14-6-4-8-20(11-14)15-7-3-5-13(17)9-15;;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 366.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119884155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).