1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide

C14H20N4O2 — CID 23990210

IUPAC1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
SMILESCNC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N4O2/c1-11-3-5-12(6-4-11)16-14(20)18-9-7-17(8-10-18)13(19)15-2/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWZTFEZGKMKXDHR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds1

About 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide

1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide (PubChem CID 23990210) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
PubChem CID23990210
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
SMILESCNC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N4O2/c1-11-3-5-12(6-4-11)16-14(20)18-9-7-17(8-10-18)13(19)15-2/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWZTFEZGKMKXDHR-UHFFFAOYSA-N
XLogP1.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide (CID 23990210) is 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide is CNC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide?
The InChIKey is WZTFEZGKMKXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-3-5-12(6-4-11)16-14(20)18-9-7-17(8-10-18)13(19)15-2/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide?
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 23990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).