4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

C21H28N4O — CID 113111579

IUPAC4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-16-5-6-17(2)20(15-16)22-21(26)25-13-11-24(12-14-25)19-9-7-18(8-10-19)23(3)4/h5-10,15H,11-14H2,1-4H3,(H,22,26)
InChIKeyWOTSLTDOQDEORY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.72
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111579) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111579
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-16-5-6-17(2)20(15-16)22-21(26)25-13-11-24(12-14-25)19-9-7-18(8-10-19)23(3)4/h5-10,15H,11-14H2,1-4H3,(H,22,26)
InChIKeyWOTSLTDOQDEORY-UHFFFAOYSA-N
XLogP3.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111579) is 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is WOTSLTDOQDEORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-5-6-17(2)20(15-16)22-21(26)25-13-11-24(12-14-25)19-9-7-18(8-10-19)23(3)4/h5-10,15H,11-14H2,1-4H3,(H,22,26).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).