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

C18H20ClN3O2 — CID 3399545

IUPAC4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)20-18(23)22-12-10-21(11-13-22)17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyVXTNPLOCISWISP-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.70
Rot. Bonds3

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

4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 3399545) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID3399545
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)20-18(23)22-12-10-21(11-13-22)17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyVXTNPLOCISWISP-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 3399545) is 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is VXTNPLOCISWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-15-8-6-14(7-9-15)20-18(23)22-12-10-21(11-13-22)17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(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 4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3399545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).