4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide

C23H29F2N3O2 — CID 21295690

IUPAC4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide
SMILESO=C(NCCO)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C23H29F2N3O2/c24-19-7-3-17(4-8-19)21(18-5-9-20(25)10-6-18)2-1-13-28-14-11-26-22(16-28)23(30)27-12-15-29/h3-10,21-22,26,29H,1-2,11-16H2,(H,27,30)
InChIKeyQKQVNYSUONWMGX-UHFFFAOYSA-N
MW417.50 g/mol
LogP2.26
Rot. Bonds9

About 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide

4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide (PubChem CID 21295690) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide
PubChem CID21295690
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide
SMILESO=C(NCCO)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C23H29F2N3O2/c24-19-7-3-17(4-8-19)21(18-5-9-20(25)10-6-18)2-1-13-28-14-11-26-22(16-28)23(30)27-12-15-29/h3-10,21-22,26,29H,1-2,11-16H2,(H,27,30)
InChIKeyQKQVNYSUONWMGX-UHFFFAOYSA-N
XLogP2.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide (CID 21295690) is 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide is O=C(NCCO)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide?
The InChIKey is QKQVNYSUONWMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c24-19-7-3-17(4-8-19)21(18-5-9-20(25)10-6-18)2-1-13-28-14-11-26-22(16-28)23(30)27-12-15-29/h3-10,21-22,26,29H,1-2,11-16H2,(H,27,30).
What are the key properties of 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide?
4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide has a molecular weight of 417.50 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(4-fluorophenyl)butyl]-N-(2-hydroxyethyl)piperazine-2-carboxamide is sourced from PubChem (CID 21295690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).