N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

C24H32N4O — CID 113112439

IUPACN-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C24H32N4O/c1-18-16-19(2)23(20(3)17-18)27-12-14-28(15-13-27)24(29)25-21-6-8-22(9-7-21)26-10-4-5-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,29)
InChIKeySQZIJRDNBDRWRG-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.57
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113112439) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113112439
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C24H32N4O/c1-18-16-19(2)23(20(3)17-18)27-12-14-28(15-13-27)24(29)25-21-6-8-22(9-7-21)26-10-4-5-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,29)
InChIKeySQZIJRDNBDRWRG-UHFFFAOYSA-N
XLogP4.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113112439) is N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c(C)c1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is SQZIJRDNBDRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-16-19(2)23(20(3)17-18)27-12-14-28(15-13-27)24(29)25-21-6-8-22(9-7-21)26-10-4-5-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,29).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).