[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride

C21H28ClN3O4 — CID 142647330

IUPAC[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1OC.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-22-21(25)28-19-9-8-16(14-20(19)27-3)15-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-2;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);1H
InChIKeyZYHUUYCAWMSLPP-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.17
Rot. Bonds6

About [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride

[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride (PubChem CID 142647330) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride
PubChem CID142647330
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC Name[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1OC.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-22-21(25)28-19-9-8-16(14-20(19)27-3)15-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-2;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);1H
InChIKeyZYHUUYCAWMSLPP-UHFFFAOYSA-N
XLogP3.17
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 18403872
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
(4-benzylphenyl) N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 90467592
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506291

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride?
The IUPAC name of [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride (CID 142647330) is [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride.
What is the SMILES notation for [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride?
The canonical SMILES for [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride is CNC(=O)Oc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1OC.Cl.
What is the InChIKey of [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride?
The InChIKey is ZYHUUYCAWMSLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.ClH/c1-22-21(25)28-19-9-8-16(14-20(19)27-3)15-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-2;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);1H.
What are the key properties of [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride?
[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride is sourced from PubChem (CID 142647330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).