4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide

C19H22IN3O — CID 3768941

IUPAC4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3cccc(I)c3)CC2)c(C)c1
InChIInChI=1S/C19H22IN3O/c1-14-6-7-18(15(2)12-14)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyPRRJDQHLEMTGPQ-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.26
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide

4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide (PubChem CID 3768941) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
PubChem CID3768941
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC Name4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3cccc(I)c3)CC2)c(C)c1
InChIInChI=1S/C19H22IN3O/c1-14-6-7-18(15(2)12-14)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyPRRJDQHLEMTGPQ-UHFFFAOYSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide (CID 3768941) is 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3cccc(I)c3)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide?
The InChIKey is PRRJDQHLEMTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O/c1-14-6-7-18(15(2)12-14)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide?
4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide has a molecular weight of 435.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3768941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).