N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C16H25N3O2 — CID 54306558

IUPACN-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCON(C)C(=O)CN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-14-5-4-6-15(11-14)12-18-7-9-19(10-8-18)13-16(20)17(2)21-3/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeySHYDSLYBUPLLBN-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.13
Rot. Bonds5

About N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 54306558) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID54306558
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCON(C)C(=O)CN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-14-5-4-6-15(11-14)12-18-7-9-19(10-8-18)13-16(20)17(2)21-3/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeySHYDSLYBUPLLBN-UHFFFAOYSA-N
XLogP1.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide
CID 54288114
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597756
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 54306558) is N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is CON(C)C(=O)CN1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is SHYDSLYBUPLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-5-4-6-15(11-14)12-18-7-9-19(10-8-18)13-16(20)17(2)21-3/h4-6,11H,7-10,12-13H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 54306558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).