N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide

C16H25N3O — CID 60939432

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)N(C)C(=O)CN2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-4-6-15(7-5-13)14(2)18(3)16(20)12-19-10-8-17-9-11-19/h4-7,14,17H,8-12H2,1-3H3
InChIKeyOUPJXZALGVQEGG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide

N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 60939432) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID60939432
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)N(C)C(=O)CN2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-4-6-15(7-5-13)14(2)18(3)16(20)12-19-10-8-17-9-11-19/h4-7,14,17H,8-12H2,1-3H3
InChIKeyOUPJXZALGVQEGG-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-butan-2-yl-2-[4-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 134019653
2-(4-methyl-N-(2-piperazin-1-ylacetyl)anilino)acetic acid
CID 61159721
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 134041775
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
N-butan-2-yl-2-[4-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898039
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 92968552
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide (CID 60939432) is N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide is Cc1ccc(C(C)N(C)C(=O)CN2CCNCC2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is OUPJXZALGVQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-4-6-15(7-5-13)14(2)18(3)16(20)12-19-10-8-17-9-11-19/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60939432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).