N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

C17H25BrClFN2O — CID 119764793

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1cc(Br)ccc1F)C1CCNCC1.Cl
InChIInChI=1S/C17H24BrFN2O.ClH/c1-12(13-5-7-20-8-6-13)9-17(22)21(2)11-14-10-15(18)3-4-16(14)19;/h3-4,10,12-13,20H,5-9,11H2,1-2H3;1H
InChIKeyWNOYAJSIVHAINZ-UHFFFAOYSA-N
MW407.76 g/mol
LogP3.99
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119764793) has the molecular formula C17H25BrClFN2O and a molecular weight of 407.76 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119764793
Molecular FormulaC17H25BrClFN2O
Molecular Weight407.76 g/mol
Exact Mass406.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1cc(Br)ccc1F)C1CCNCC1.Cl
InChIInChI=1S/C17H24BrFN2O.ClH/c1-12(13-5-7-20-8-6-13)9-17(22)21(2)11-14-10-15(18)3-4-16(14)19;/h3-4,10,12-13,20H,5-9,11H2,1-2H3;1H
InChIKeyWNOYAJSIVHAINZ-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 115171586
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
2-amino-4-[(5-bromo-2-fluorophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 115181116
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 124592944
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 119891621
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 119864913
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629624

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119764793) is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(C)Cc1cc(Br)ccc1F)C1CCNCC1.Cl.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is WNOYAJSIVHAINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O.ClH/c1-12(13-5-7-20-8-6-13)9-17(22)21(2)11-14-10-15(18)3-4-16(14)19;/h3-4,10,12-13,20H,5-9,11H2,1-2H3;1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 407.76 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119764793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).