1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone

C17H27N3O2 — CID 120848140

IUPAC1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(CC(C)(C)N)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14-4-6-15(7-5-14)22-12-16(21)20-10-8-19(9-11-20)13-17(2,3)18/h4-7H,8-13,18H2,1-3H3
InChIKeyPYHZCSVISWNQLW-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.26
Rot. Bonds5

About 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 120848140) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID120848140
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(CC(C)(C)N)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14-4-6-15(7-5-14)22-12-16(21)20-10-8-19(9-11-20)13-17(2,3)18/h4-7H,8-13,18H2,1-3H3
InChIKeyPYHZCSVISWNQLW-UHFFFAOYSA-N
XLogP1.26
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)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

Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-(Biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 2911244
1-[4-(4-Ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
CID 137349228
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
CID 1257662
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
2-phenoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2077625
1-(morpholin-4-yl)-2-{4-[(Z)-2-nitroethenyl]phenoxy}ethanone
CID 2210686
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 3681202

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CID 120848140) is 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCN(CC(C)(C)N)CC2)cc1.
What is the InChIKey of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is PYHZCSVISWNQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-4-6-15(7-5-14)22-12-16(21)20-10-8-19(9-11-20)13-17(2,3)18/h4-7H,8-13,18H2,1-3H3.
What are the key properties of 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 305.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 120848140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).