N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide

C15H23N5O2 — CID 108529126

IUPACN-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C15H23N5O2/c1-18(2)13-6-4-5-12(11-13)16-14(21)15(22)17-20-9-7-19(3)8-10-20/h4-6,11H,7-10H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyMZXDBDPXXDTYBU-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.03
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide

N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 108529126) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID108529126
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C15H23N5O2/c1-18(2)13-6-4-5-12(11-13)16-14(21)15(22)17-20-9-7-19(3)8-10-20/h4-6,11H,7-10H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyMZXDBDPXXDTYBU-UHFFFAOYSA-N
XLogP-0.03
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000333
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide (CID 108529126) is N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide is CN1CCN(NC(=O)C(=O)Nc2cccc(N(C)C)c2)CC1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is MZXDBDPXXDTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18(2)13-6-4-5-12(11-13)16-14(21)15(22)17-20-9-7-19(3)8-10-20/h4-6,11H,7-10H2,1-3H3,(H,16,21)(H,17,22).
What are the key properties of N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 305.38 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 108529126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).