N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C21H28N4O — CID 113111759

IUPACN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-16-13-17(2)15-20(14-16)24-9-11-25(12-10-24)21(26)22-18-5-7-19(8-6-18)23(3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,26)
InChIKeyCMFXYNPQXXVYJL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.72
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111759) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111759
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-16-13-17(2)15-20(14-16)24-9-11-25(12-10-24)21(26)22-18-5-7-19(8-6-18)23(3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,26)
InChIKeyCMFXYNPQXXVYJL-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-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
methyl 4-[[4-[4-(dimethylamino)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 113114384
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111759) is N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is CMFXYNPQXXVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-13-17(2)15-20(14-16)24-9-11-25(12-10-24)21(26)22-18-5-7-19(8-6-18)23(3)4/h5-8,13-15H,9-12H2,1-4H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(3,5-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 N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).