N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

C18H23Cl3N4O2 — CID 66797456

IUPACN-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCN(C(=O)N1CCNCC1COc1cccnc1)c1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C18H21ClN4O2.2ClH/c1-22(15-6-4-14(19)5-7-15)18(24)23-10-9-21-11-16(23)13-25-17-3-2-8-20-12-17;;/h2-8,12,16,21H,9-11,13H2,1H3;2*1H
InChIKeyNPVFGFSHOINLOM-UHFFFAOYSA-N
MW433.77 g/mol
LogP3.49
Rot. Bonds4

About N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 66797456) has the molecular formula C18H23Cl3N4O2 and a molecular weight of 433.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
PubChem CID66797456
Molecular FormulaC18H23Cl3N4O2
Molecular Weight433.77 g/mol
Exact Mass432.09
IUPAC NameN-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCN(C(=O)N1CCNCC1COc1cccnc1)c1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C18H21ClN4O2.2ClH/c1-22(15-6-4-14(19)5-7-15)18(24)23-10-9-21-11-16(23)13-25-17-3-2-8-20-12-17;;/h2-8,12,16,21H,9-11,13H2,1H3;2*1H
InChIKeyNPVFGFSHOINLOM-UHFFFAOYSA-N
XLogP3.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
[5-(2,4-dichlorophenyl)furan-2-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797196
[5-(3-chlorophenyl)thiophen-2-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796476
(4-bromophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878117
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
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-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (CID 66797456) is N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is CN(C(=O)N1CCNCC1COc1cccnc1)c1ccc(Cl)cc1.Cl.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is NPVFGFSHOINLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2.2ClH/c1-22(15-6-4-14(19)5-7-15)18(24)23-10-9-21-11-16(23)13-25-17-3-2-8-20-12-17;;/h2-8,12,16,21H,9-11,13H2,1H3;2*1H.
What are the key properties of N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 433.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 66797456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).