2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide

C19H28N4O2 — CID 108984409

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-7-9-22(10-8-15)17-5-3-16(4-6-17)20-18(24)19(25)23-13-11-21(2)12-14-23/h3-6,15H,7-14H2,1-2H3,(H,20,24)
InChIKeyFADOMZOUGLGWIU-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide

2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide (PubChem CID 108984409) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
PubChem CID108984409
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-7-9-22(10-8-15)17-5-3-16(4-6-17)20-18(24)19(25)23-13-11-21(2)12-14-23/h3-6,15H,7-14H2,1-2H3,(H,20,24)
InChIKeyFADOMZOUGLGWIU-UHFFFAOYSA-N
XLogP1.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide (CID 108984409) is 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide is CC1CCN(c2ccc(NC(=O)C(=O)N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide?
The InChIKey is FADOMZOUGLGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-7-9-22(10-8-15)17-5-3-16(4-6-17)20-18(24)19(25)23-13-11-21(2)12-14-23/h3-6,15H,7-14H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide?
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108984409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).