N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride

C22H30Cl2N6O3 — CID 22997339

IUPACN-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride
SMILESCl.Cl.O=C(NN1CCNCC1)c1ccc(Oc2ccc(C(=O)NN3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N6O3.2ClH/c29-21(25-27-13-9-23-10-14-27)17-1-5-19(6-2-17)31-20-7-3-18(4-8-20)22(30)26-28-15-11-24-12-16-28;;/h1-8,23-24H,9-16H2,(H,25,29)(H,26,30);2*1H
InChIKeyUQUUCYMZLIKBNF-UHFFFAOYSA-N
MW497.43 g/mol
LogP1.42
Rot. Bonds6

About N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride

N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride (PubChem CID 22997339) has the molecular formula C22H30Cl2N6O3 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride
PubChem CID22997339
Molecular FormulaC22H30Cl2N6O3
Molecular Weight497.43 g/mol
Exact Mass496.18
IUPAC NameN-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride
SMILESCl.Cl.O=C(NN1CCNCC1)c1ccc(Oc2ccc(C(=O)NN3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N6O3.2ClH/c29-21(25-27-13-9-23-10-14-27)17-1-5-19(6-2-17)31-20-7-3-18(4-8-20)22(30)26-28-15-11-24-12-16-28;;/h1-8,23-24H,9-16H2,(H,25,29)(H,26,30);2*1H
InChIKeyUQUUCYMZLIKBNF-UHFFFAOYSA-N
XLogP1.42
TPSA97.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride?
The IUPAC name of N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride (CID 22997339) is N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride?
The canonical SMILES for N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride is Cl.Cl.O=C(NN1CCNCC1)c1ccc(Oc2ccc(C(=O)NN3CCNCC3)cc2)cc1.
What is the InChIKey of N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride?
The InChIKey is UQUUCYMZLIKBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.2ClH/c29-21(25-27-13-9-23-10-14-27)17-1-5-19(6-2-17)31-20-7-3-18(4-8-20)22(30)26-28-15-11-24-12-16-28;;/h1-8,23-24H,9-16H2,(H,25,29)(H,26,30);2*1H.
What are the key properties of N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride?
N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride has a molecular weight of 497.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-yl-4-[4-(piperazin-1-ylcarbamoyl)phenoxy]benzamide;dihydrochloride is sourced from PubChem (CID 22997339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).