N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide

C16H25N3O — CID 63265575

IUPACN-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-14-4-3-5-15(12-14)13-16(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3
InChIKeyGXLLRHAOJUIWKM-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.90
Rot. Bonds5

About N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide

N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 63265575) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID63265575
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-14-4-3-5-15(12-14)13-16(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3
InChIKeyGXLLRHAOJUIWKM-UHFFFAOYSA-N
XLogP0.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63565557
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446399
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide (CID 63265575) is N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide is Cc1cccc(CC(=O)N(C)CCN2CCNCC2)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is GXLLRHAOJUIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-4-3-5-15(12-14)13-16(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,12,17H,6-11,13H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 63265575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).