N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide

C18H19Cl2N3O2 — CID 1306499

IUPACN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-7-2-13(19)12-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyGQEVWOUQRFUQMK-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.36
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 1306499) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID1306499
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-7-2-13(19)12-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyGQEVWOUQRFUQMK-UHFFFAOYSA-N
XLogP4.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 1306499) is N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GQEVWOUQRFUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-25-15-5-3-14(4-6-15)22-8-10-23(11-9-22)18(24)21-17-7-2-13(19)12-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.36, 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-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1306499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).