1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone

C24H33N3O3 — CID 68857180

IUPAC1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
SMILESCCN(Cc1cccc(OCCN2CCN(C(C)=O)CC2)c1)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O3/c1-4-26(22-8-6-9-23(18-22)29-3)19-21-7-5-10-24(17-21)30-16-15-25-11-13-27(14-12-25)20(2)28/h5-10,17-18H,4,11-16,19H2,1-3H3
InChIKeyJAGAPTRGEROOGN-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.26
Rot. Bonds9

About 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 68857180) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID68857180
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
SMILESCCN(Cc1cccc(OCCN2CCN(C(C)=O)CC2)c1)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O3/c1-4-26(22-8-6-9-23(18-22)29-3)19-21-7-5-10-24(17-21)30-16-15-25-11-13-27(14-12-25)20(2)28/h5-10,17-18H,4,11-16,19H2,1-3H3
InChIKeyJAGAPTRGEROOGN-UHFFFAOYSA-N
XLogP3.26
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 68854493
N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915056
3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 110409956
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
4-[2-[bis[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]piperazine-1-carboxylic acid
CID 175572183
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
(5S)-5-[[[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26321255
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone (CID 68857180) is 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone is CCN(Cc1cccc(OCCN2CCN(C(C)=O)CC2)c1)c1cccc(OC)c1.
What is the InChIKey of 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is JAGAPTRGEROOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-26(22-8-6-9-23(18-22)29-3)19-21-7-5-10-24(17-21)30-16-15-25-11-13-27(14-12-25)20(2)28/h5-10,17-18H,4,11-16,19H2,1-3H3.
What are the key properties of 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 411.55 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 68857180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).