3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride

C22H28ClN3O3 — CID 119779665

IUPAC3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-15(16-9-11-24-12-10-16)13-21(26)25-18-5-7-19(8-6-18)28-20-4-2-3-17(14-20)22(23)27;/h2-8,14-16,24H,9-13H2,1H3,(H2,23,27)(H,25,26);1H
InChIKeyBZCZJOGRCZFOQJ-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.96
Rot. Bonds7

About 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride

3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride (PubChem CID 119779665) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride
PubChem CID119779665
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-15(16-9-11-24-12-10-16)13-21(26)25-18-5-7-19(8-6-18)28-20-4-2-3-17(14-20)22(23)27;/h2-8,14-16,24H,9-13H2,1H3,(H2,23,27)(H,25,26);1H
InChIKeyBZCZJOGRCZFOQJ-UHFFFAOYSA-N
XLogP3.96
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119872984
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
CID 119779671
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride?
The IUPAC name of 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride (CID 119779665) is 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride is CC(CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)C1CCNCC1.Cl.
What is the InChIKey of 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride?
The InChIKey is BZCZJOGRCZFOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-15(16-9-11-24-12-10-16)13-21(26)25-18-5-7-19(8-6-18)28-20-4-2-3-17(14-20)22(23)27;/h2-8,14-16,24H,9-13H2,1H3,(H2,23,27)(H,25,26);1H.
What are the key properties of 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride?
3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride is sourced from PubChem (CID 119779665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).