N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

C24H33FN6O — CID 111220359

IUPACN-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H33FN6O/c1-2-26-24(31-13-11-30(12-14-31)23-5-3-4-10-27-23)28-19-22(29-15-17-32-18-16-29)20-6-8-21(25)9-7-20/h3-10,22H,2,11-19H2,1H3,(H,26,28)
InChIKeyIGQDFYRHHUAYHJ-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.38
Rot. Bonds6

About N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111220359) has the molecular formula C24H33FN6O and a molecular weight of 440.57 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111220359
Molecular FormulaC24H33FN6O
Molecular Weight440.57 g/mol
Exact Mass440.27
IUPAC NameN-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H33FN6O/c1-2-26-24(31-13-11-30(12-14-31)23-5-3-4-10-27-23)28-19-22(29-15-17-32-18-16-29)20-6-8-21(25)9-7-20/h3-10,22H,2,11-19H2,1H3,(H,26,28)
InChIKeyIGQDFYRHHUAYHJ-UHFFFAOYSA-N
XLogP2.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111220359) is N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is IGQDFYRHHUAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O/c1-2-26-24(31-13-11-30(12-14-31)23-5-3-4-10-27-23)28-19-22(29-15-17-32-18-16-29)20-6-8-21(25)9-7-20/h3-10,22H,2,11-19H2,1H3,(H,26,28).
What are the key properties of N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 440.57 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111220359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).