N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C21H28Cl2FN3O2 — CID 119864547

IUPACN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26FN3O2.2ClH/c1-15(17-6-9-23-10-7-17)11-21(26)25-13-16-4-5-20(19(22)12-16)27-18-3-2-8-24-14-18;;/h2-5,8,12,14-15,17,23H,6-7,9-11,13H2,1H3,(H,25,26);2*1H
InChIKeyIJYJUDQDFNICPD-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.50
Rot. Bonds7

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119864547) has the molecular formula C21H28Cl2FN3O2 and a molecular weight of 444.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119864547
Molecular FormulaC21H28Cl2FN3O2
Molecular Weight444.38 g/mol
Exact Mass443.15
IUPAC NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26FN3O2.2ClH/c1-15(17-6-9-23-10-7-17)11-21(26)25-13-16-4-5-20(19(22)12-16)27-18-3-2-8-24-14-18;;/h2-5,8,12,14-15,17,23H,6-7,9-11,13H2,1H3,(H,25,26);2*1H
InChIKeyIJYJUDQDFNICPD-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119864556
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941600
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119864547) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is IJYJUDQDFNICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2.2ClH/c1-15(17-6-9-23-10-7-17)11-21(26)25-13-16-4-5-20(19(22)12-16)27-18-3-2-8-24-14-18;;/h2-5,8,12,14-15,17,23H,6-7,9-11,13H2,1H3,(H,25,26);2*1H.
What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 444.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119864547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).