4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide

C23H29FN4O2 — CID 86969723

IUPAC4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
SMILESCCN(C(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-3-28(17(2)18-4-8-20(24)9-5-18)22(29)16-26-12-14-27(15-13-26)21-10-6-19(7-11-21)23(25)30/h4-11,17H,3,12-16H2,1-2H3,(H2,25,30)
InChIKeyYKYRWNRCOLMWNH-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.66
Rot. Bonds7

About 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide

4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide (PubChem CID 86969723) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
PubChem CID86969723
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
SMILESCCN(C(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-3-28(17(2)18-4-8-20(24)9-5-18)22(29)16-26-12-14-27(15-13-26)21-10-6-19(7-11-21)23(25)30/h4-11,17H,3,12-16H2,1-2H3,(H2,25,30)
InChIKeyYKYRWNRCOLMWNH-UHFFFAOYSA-N
XLogP2.66
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide 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-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide (CID 86969723) is 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide is CCN(C(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide?
The InChIKey is YKYRWNRCOLMWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-3-28(17(2)18-4-8-20(24)9-5-18)22(29)16-26-12-14-27(15-13-26)21-10-6-19(7-11-21)23(25)30/h4-11,17H,3,12-16H2,1-2H3,(H2,25,30).
What are the key properties of 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide?
4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).