N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide

C18H20ClN3O2 — CID 757318

IUPACN-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)21-10-12-22(13-11-21)18(23)20-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyUPMLUHLPIBAJTJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.70
Rot. Bonds3

About N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 757318) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID757318
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)21-10-12-22(13-11-21)18(23)20-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyUPMLUHLPIBAJTJ-UHFFFAOYSA-N
XLogP3.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.70
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-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 757318) is N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UPMLUHLPIBAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)21-10-12-22(13-11-21)18(23)20-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 757318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).