N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide

C15H22N4O2 — CID 115378763

IUPACN-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)cc1N(C)C
InChIInChI=1S/C15H22N4O2/c1-11-4-5-12(10-13(11)18(2)3)17-14(20)15(21)19-8-6-16-7-9-19/h4-5,10,16H,6-9H2,1-3H3,(H,17,20)
InChIKeyLQDYGHSPHXIVKL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.43
Rot. Bonds2

About N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide

N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 115378763) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
PubChem CID115378763
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)cc1N(C)C
InChIInChI=1S/C15H22N4O2/c1-11-4-5-12(10-13(11)18(2)3)17-14(20)15(21)19-8-6-16-7-9-19/h4-5,10,16H,6-9H2,1-3H3,(H,17,20)
InChIKeyLQDYGHSPHXIVKL-UHFFFAOYSA-N
XLogP0.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43145018
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 116678635
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
N-[3-(dimethylamino)-4-methylphenyl]-2-piperidin-4-yloxyacetamide
CID 115377256
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide (CID 115378763) is N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide is Cc1ccc(NC(=O)C(=O)N2CCNCC2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is LQDYGHSPHXIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-4-5-12(10-13(11)18(2)3)17-14(20)15(21)19-8-6-16-7-9-19/h4-5,10,16H,6-9H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide?
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 115378763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).