[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate

C18H29N3O4 — CID 101026122

IUPAC[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)OC(COC)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O4/c1-4-13-24-16-8-6-5-7-15(16)19-18(22)25-17(14-23-3)21-11-9-20(2)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyBBEWVYFMYRIHNW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.24
Rot. Bonds8

About [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate

[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate (PubChem CID 101026122) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate
PubChem CID101026122
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)OC(COC)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O4/c1-4-13-24-16-8-6-5-7-15(16)19-18(22)25-17(14-23-3)21-11-9-20(2)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyBBEWVYFMYRIHNW-UHFFFAOYSA-N
XLogP2.24
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-1-piperidin-1-ylethyl) N-(2-heptoxyphenyl)carbamate
CID 101026116
[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)propan-2-yl] N-(2-hexoxyphenyl)carbamate
CID 101339698
(2-ethoxy-1-pyrrolidin-1-ylethyl) N-(2-heptoxyphenyl)carbamate
CID 101026136
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
[1-butoxy-3-(diethylamino)propan-2-yl] N-(2-propoxyphenyl)carbamate
CID 10619789
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
oxalic acid;(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-hexoxyphenyl)carbamate
CID 3072620
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate?
The IUPAC name of [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate (CID 101026122) is [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate.
What is the SMILES notation for [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate?
The canonical SMILES for [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate is CCCOc1ccccc1NC(=O)OC(COC)N1CCN(C)CC1.
What is the InChIKey of [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate?
The InChIKey is BBEWVYFMYRIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-4-13-24-16-8-6-5-7-15(16)19-18(22)25-17(14-23-3)21-11-9-20(2)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate?
[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate has a molecular weight of 351.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate is sourced from PubChem (CID 101026122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).