2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide

C21H28FN3O2 — CID 46024346

IUPAC2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-7-3-6-16(14-17)21(27)25-12-10-24(11-13-25)19(15-4-1-2-5-15)20(26)23-18-8-9-18/h3,6-7,14-15,18-19H,1-2,4-5,8-13H2,(H,23,26)
InChIKeyWSHWZASDDDDLJT-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.42
Rot. Bonds5

About 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024346) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024346
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-7-3-6-16(14-17)21(27)25-12-10-24(11-13-25)19(15-4-1-2-5-15)20(26)23-18-8-9-18/h3,6-7,14-15,18-19H,1-2,4-5,8-13H2,(H,23,26)
InChIKeyWSHWZASDDDDLJT-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide 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 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide (CID 46024346) is 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide is O=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is WSHWZASDDDDLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-17-7-3-6-16(14-17)21(27)25-12-10-24(11-13-25)19(15-4-1-2-5-15)20(26)23-18-8-9-18/h3,6-7,14-15,18-19H,1-2,4-5,8-13H2,(H,23,26).
What are the key properties of 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).