3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride

C19H23ClN4O3 — CID 120731940

IUPAC3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C19H22N4O3.ClH/c20-19(25)14-3-1-5-16(11-14)26-10-6-18(24)23-9-8-22-13-17(23)15-4-2-7-21-12-15;/h1-5,7,11-12,17,22H,6,8-10,13H2,(H2,20,25);1H
InChIKeyBUEUZDRARFUWLN-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.54
Rot. Bonds6

About 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride

3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride (PubChem CID 120731940) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
PubChem CID120731940
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C19H22N4O3.ClH/c20-19(25)14-3-1-5-16(11-14)26-10-6-18(24)23-9-8-22-13-17(23)15-4-2-7-21-12-15;/h1-5,7,11-12,17,22H,6,8-10,13H2,(H2,20,25);1H
InChIKeyBUEUZDRARFUWLN-UHFFFAOYSA-N
XLogP1.54
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 120803238
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732026
1-(4-propoxyphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120732200
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride (CID 120731940) is 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride is Cl.NC(=O)c1cccc(OCCC(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride?
The InChIKey is BUEUZDRARFUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c20-19(25)14-3-1-5-16(11-14)26-10-6-18(24)23-9-8-22-13-17(23)15-4-2-7-21-12-15;/h1-5,7,11-12,17,22H,6,8-10,13H2,(H2,20,25);1H.
What are the key properties of 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride?
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride is sourced from PubChem (CID 120731940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).