N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C20H26Cl2FN3O2 — CID 119849091

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H24FN3O2.2ClH/c1-14(15-3-2-10-22-12-15)11-19(25)24-17-6-9-20(23-13-17)26-18-7-4-16(21)5-8-18;;/h4-9,13-15,22H,2-3,10-12H2,1H3,(H,24,25);2*1H
InChIKeyZWKLTQQBYHQBOR-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.82
Rot. Bonds6

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119849091) has the molecular formula C20H26Cl2FN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119849091
Molecular FormulaC20H26Cl2FN3O2
Molecular Weight430.35 g/mol
Exact Mass429.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H24FN3O2.2ClH/c1-14(15-3-2-10-22-12-15)11-19(25)24-17-6-9-20(23-13-17)26-18-7-4-16(21)5-8-18;;/h4-9,13-15,22H,2-3,10-12H2,1H3,(H,24,25);2*1H
InChIKeyZWKLTQQBYHQBOR-UHFFFAOYSA-N
XLogP4.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119845919
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119849091) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is ZWKLTQQBYHQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2.2ClH/c1-14(15-3-2-10-22-12-15)11-19(25)24-17-6-9-20(23-13-17)26-18-7-4-16(21)5-8-18;;/h4-9,13-15,22H,2-3,10-12H2,1H3,(H,24,25);2*1H.
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 430.35 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119849091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).