2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C20H33N3O2 — CID 8997907

IUPAC2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H33N3O2/c1-6-20(3,4)21-19(24)15-23-11-9-22(10-12-23)14-17-13-16(2)7-8-18(17)25-5/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,21,24)
InChIKeyPEXPGZLTPYLVER-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.43
Rot. Bonds7

About 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 8997907) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID8997907
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H33N3O2/c1-6-20(3,4)21-19(24)15-23-11-9-22(10-12-23)14-17-13-16(2)7-8-18(17)25-5/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,21,24)
InChIKeyPEXPGZLTPYLVER-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide 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

N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997168
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
N-(2-methylbutan-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596502
N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
N-(3,4-difluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997026
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8997331
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8997587
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997853
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 8997907) is 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(Cc2cc(C)ccc2OC)CC1.
What is the InChIKey of 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is PEXPGZLTPYLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-20(3,4)21-19(24)15-23-11-9-22(10-12-23)14-17-13-16(2)7-8-18(17)25-5/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,21,24).
What are the key properties of 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 8997907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).