4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide

C21H27N3O — CID 66750951

IUPAC4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-21(2,3)18-11-7-8-12-19(18)23-13-15-24(16-14-23)20(25)22-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,22,25)
InChIKeyYNQDPOCMUJDKQJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.34
Rot. Bonds2

About 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide

4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 66750951) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID66750951
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-21(2,3)18-11-7-8-12-19(18)23-13-15-24(16-14-23)20(25)22-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,22,25)
InChIKeyYNQDPOCMUJDKQJ-UHFFFAOYSA-N
XLogP4.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-tert-butylphenyl)-N-phenylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide (CID 66750951) is 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide is CC(C)(C)c1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is YNQDPOCMUJDKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(2,3)18-11-7-8-12-19(18)23-13-15-24(16-14-23)20(25)22-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,22,25).
What are the key properties of 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide?
4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 66750951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).