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

C19H22Cl2N4O — CID 113114419

IUPACN-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N4O/c1-23(2)15-4-6-16(7-5-15)24-9-11-25(12-10-24)19(26)22-18-8-3-14(20)13-17(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyIEWMJPXTIFGHSD-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.41
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (PubChem CID 113114419) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
PubChem CID113114419
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC NameN-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N4O/c1-23(2)15-4-6-16(7-5-15)24-9-11-25(12-10-24)19(26)22-18-8-3-14(20)13-17(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyIEWMJPXTIFGHSD-UHFFFAOYSA-N
XLogP4.41
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.41
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-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (CID 113114419) is N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is CN(C)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is IEWMJPXTIFGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-23(2)15-4-6-16(7-5-15)24-9-11-25(12-10-24)19(26)22-18-8-3-14(20)13-17(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 393.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113114419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).