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

C20H24N4O2 — CID 4055899

IUPAC1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-15-3-7-17(8-4-15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWDTQLUJPEWRMRU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.69
Rot. Bonds2

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

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide (PubChem CID 4055899) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
PubChem CID4055899
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-15-3-7-17(8-4-15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWDTQLUJPEWRMRU-UHFFFAOYSA-N
XLogP3.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
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
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-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
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide (CID 4055899) is 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide?
The InChIKey is WDTQLUJPEWRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-3-7-17(8-4-15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide?
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 4055899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).