N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

C17H19Cl3N4O2 — CID 90643565

IUPACN-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
InChIKeyUBXXQKJQLXGCIA-UHFFFAOYSA-N
MW417.72 g/mol
LogP3.69
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643565) has the molecular formula C17H19Cl3N4O2 and a molecular weight of 417.72 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643565
Molecular FormulaC17H19Cl3N4O2
Molecular Weight417.72 g/mol
Exact Mass416.06
IUPAC NameN-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
InChIKeyUBXXQKJQLXGCIA-UHFFFAOYSA-N
XLogP3.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.72
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
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-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643565) is N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is UBXXQKJQLXGCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H.
What are the key properties of N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 417.72 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).