N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

C19H21Cl2N3O3 — CID 3696119

IUPACN-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C19H21Cl2N3O3/c1-26-13-6-7-16(17(12-13)27-2)23-8-10-24(11-9-23)19(25)22-18-14(20)4-3-5-15(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyUQPCTHILNMIBCF-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.36
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3696119) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID3696119
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC NameN-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C19H21Cl2N3O3/c1-26-13-6-7-16(17(12-13)27-2)23-8-10-24(11-9-23)19(25)22-18-14(20)4-3-5-15(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyUQPCTHILNMIBCF-UHFFFAOYSA-N
XLogP4.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 3696119) is N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c(OC)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UQPCTHILNMIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-26-13-6-7-16(17(12-13)27-2)23-8-10-24(11-9-23)19(25)22-18-14(20)4-3-5-15(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3696119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).