2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride

C24H28Cl2N4O3 — CID 66797414

IUPAC2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
SMILESCc1ccc(OCC2CNCCN2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.Cl.Cl
InChIInChI=1S/C24H26N4O3.2ClH/c1-18-7-10-23(16-26-18)30-17-20-15-25-13-14-28(20)24(29)27-19-8-11-22(12-9-19)31-21-5-3-2-4-6-21;;/h2-12,16,20,25H,13-15,17H2,1H3,(H,27,29);2*1H
InChIKeyWETXUECLHRNKTJ-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.91
Rot. Bonds6

About 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride

2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 66797414) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
PubChem CID66797414
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
SMILESCc1ccc(OCC2CNCCN2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.Cl.Cl
InChIInChI=1S/C24H26N4O3.2ClH/c1-18-7-10-23(16-26-18)30-17-20-15-25-13-14-28(20)24(29)27-19-8-11-22(12-9-19)31-21-5-3-2-4-6-21;;/h2-12,16,20,25H,13-15,17H2,1H3,(H,27,29);2*1H
InChIKeyWETXUECLHRNKTJ-UHFFFAOYSA-N
XLogP4.91
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
2-[(3-fluorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;hydrochloride
CID 66796722
tert-butyl 4-(phenylcarbamoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;N-phenyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 162002772
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride (CID 66797414) is 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride is Cc1ccc(OCC2CNCCN2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.Cl.Cl.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is WETXUECLHRNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3.2ClH/c1-18-7-10-23(16-26-18)30-17-20-15-25-13-14-28(20)24(29)27-19-8-11-22(12-9-19)31-21-5-3-2-4-6-21;;/h2-12,16,20,25H,13-15,17H2,1H3,(H,27,29);2*1H.
What are the key properties of 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride?
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 491.42 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 66797414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).