3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

C24H26ClN3O2 — CID 120732026

IUPAC3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCOc1ccccc1-c1ccccc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C24H25N3O2.ClH/c28-24(27-15-14-26-18-22(27)20-9-6-13-25-17-20)12-16-29-23-11-5-4-10-21(23)19-7-2-1-3-8-19;/h1-11,13,17,22,26H,12,14-16,18H2;1H
InChIKeyZPHWYCLVPWDZAL-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.11
Rot. Bonds6

About 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 120732026) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID120732026
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCOc1ccccc1-c1ccccc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C24H25N3O2.ClH/c28-24(27-15-14-26-18-22(27)20-9-6-13-25-17-20)12-16-29-23-11-5-4-10-21(23)19-7-2-1-3-8-19;/h1-11,13,17,22,26H,12,14-16,18H2;1H
InChIKeyZPHWYCLVPWDZAL-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 120729948
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (CID 120732026) is 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is Cl.O=C(CCOc1ccccc1-c1ccccc1)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is ZPHWYCLVPWDZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.ClH/c28-24(27-15-14-26-18-22(27)20-9-6-13-25-17-20)12-16-29-23-11-5-4-10-21(23)19-7-2-1-3-8-19;/h1-11,13,17,22,26H,12,14-16,18H2;1H.
What are the key properties of 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120732026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).