methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate

C17H27N3O3 — CID 112504673

IUPACmethyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate
SMILESCCN1CCN(C(CNC(=O)OC)c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O3/c1-4-19-9-11-20(12-10-19)15(13-18-17(21)23-3)14-7-5-6-8-16(14)22-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyREGCGGZMDLICSL-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.73
Rot. Bonds6

About methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate

methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate (PubChem CID 112504673) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate
PubChem CID112504673
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Namemethyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate
SMILESCCN1CCN(C(CNC(=O)OC)c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O3/c1-4-19-9-11-20(12-10-19)15(13-18-17(21)23-3)14-7-5-6-8-16(14)22-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyREGCGGZMDLICSL-UHFFFAOYSA-N
XLogP1.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide
CID 110303030
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111322396
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111322969
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111322625
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 112504470

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate (CID 112504673) is methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate is CCN1CCN(C(CNC(=O)OC)c2ccccc2OC)CC1.
What is the InChIKey of methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate?
The InChIKey is REGCGGZMDLICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-19-9-11-20(12-10-19)15(13-18-17(21)23-3)14-7-5-6-8-16(14)22-2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate?
methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 112504673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).