2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone

C16H25N3O2 — CID 61018285

IUPAC2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
SMILESCc1cccc(OCCN(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-4-3-5-15(12-14)21-11-10-18(2)13-16(20)19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3
InChIKeyIWLAVLIEGFWTMK-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.74
Rot. Bonds6

About 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone (PubChem CID 61018285) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
PubChem CID61018285
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
SMILESCc1cccc(OCCN(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-4-3-5-15(12-14)21-11-10-18(2)13-16(20)19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3
InChIKeyIWLAVLIEGFWTMK-UHFFFAOYSA-N
XLogP0.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone 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-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
2-[2-(2,5-dimethylphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915450
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41405249
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
2-[2-(3-bromo-5-fluorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 120965945
1-[4-(3-methylphenoxy)butanoyl]-1,4-diazepan-5-one
CID 62046956
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone (CID 61018285) is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone is Cc1cccc(OCCN(C)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is IWLAVLIEGFWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-4-3-5-15(12-14)21-11-10-18(2)13-16(20)19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3.
What are the key properties of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).