4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

C20H22N4O3 — CID 3690757

IUPAC4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)16-5-3-15(14-21)4-6-16/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyAMPGJLJGZGXXPB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.93
Rot. Bonds4

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

4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3690757) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID3690757
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)16-5-3-15(14-21)4-6-16/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyAMPGJLJGZGXXPB-UHFFFAOYSA-N
XLogP2.93
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 3690757) is 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(OC)c1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is AMPGJLJGZGXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17-7-8-18(19(13-17)27-2)22-20(25)24-11-9-23(10-12-24)16-5-3-15(14-21)4-6-16/h3-8,13H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3690757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).