2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide

C17H27N3O — CID 83978474

IUPAC2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCCc1ccc(C(C(=O)N(C)C)N2CCNCC2C)cc1
InChIInChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)16(17(21)19(3)4)20-11-10-18-12-13(20)2/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyAYCRYOMNVHHIPY-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide

2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 83978474) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID83978474
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCCc1ccc(C(C(=O)N(C)C)N2CCNCC2C)cc1
InChIInChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)16(17(21)19(3)4)20-11-10-18-12-13(20)2/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyAYCRYOMNVHHIPY-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-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

2-(4-ethylphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539569
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
CID 83978608
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83978741

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide (CID 83978474) is 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide is CCc1ccc(C(C(=O)N(C)C)N2CCNCC2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is AYCRYOMNVHHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)16(17(21)19(3)4)20-11-10-18-12-13(20)2/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83978474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).