N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

C24H30FN3O4 — CID 654082

IUPACN-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H30FN3O4/c1-3-31-20-8-9-22(32-4-2)21(15-20)27-23(29)16-28-12-10-19(11-13-28)26-24(30)17-6-5-7-18(25)14-17/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJVMNOSIVRDMOOI-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.46
Rot. Bonds9

About N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (PubChem CID 654082) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
PubChem CID654082
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC NameN-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H30FN3O4/c1-3-31-20-8-9-22(32-4-2)21(15-20)27-23(29)16-28-12-10-19(11-13-28)26-24(30)17-6-5-7-18(25)14-17/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJVMNOSIVRDMOOI-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (CID 654082) is N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is CCOc1ccc(OCC)c(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is JVMNOSIVRDMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-3-31-20-8-9-22(32-4-2)21(15-20)27-23(29)16-28-12-10-19(11-13-28)26-24(30)17-6-5-7-18(25)14-17/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 443.52 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 654082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).