3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride

C21H28Cl2N4O3 — CID 119872984

IUPAC3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26N4O3.2ClH/c1-14(15-7-9-23-10-8-15)11-19(26)25-17-5-6-20(24-13-17)28-18-4-2-3-16(12-18)21(22)27;;/h2-6,12-15,23H,7-11H2,1H3,(H2,22,27)(H,25,26);2*1H
InChIKeyXBVVMWCWAWDUAM-UHFFFAOYSA-N
MW455.39 g/mol
LogP3.78
Rot. Bonds7

About 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride

3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride (PubChem CID 119872984) has the molecular formula C21H28Cl2N4O3 and a molecular weight of 455.39 g/mol. Its IUPAC name is 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
PubChem CID119872984
Molecular FormulaC21H28Cl2N4O3
Molecular Weight455.39 g/mol
Exact Mass454.15
IUPAC Name3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26N4O3.2ClH/c1-14(15-7-9-23-10-8-15)11-19(26)25-17-5-6-20(24-13-17)28-18-4-2-3-16(12-18)21(22)27;;/h2-6,12-15,23H,7-11H2,1H3,(H2,22,27)(H,25,26);2*1H
InChIKeyXBVVMWCWAWDUAM-UHFFFAOYSA-N
XLogP3.78
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride
CID 119779665
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
CID 119893892
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
3-amino-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119872968

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The IUPAC name of 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride (CID 119872984) is 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride.
What is the SMILES notation for 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The canonical SMILES for 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride is CC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The InChIKey is XBVVMWCWAWDUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3.2ClH/c1-14(15-7-9-23-10-8-15)11-19(26)25-17-5-6-20(24-13-17)28-18-4-2-3-16(12-18)21(22)27;;/h2-6,12-15,23H,7-11H2,1H3,(H2,22,27)(H,25,26);2*1H.
What are the key properties of 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride?
3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride has a molecular weight of 455.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride is sourced from PubChem (CID 119872984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).