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

C21H28FN3O2 — CID 46024341

IUPAC2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-7-5-16(6-8-17)21(27)25-13-11-24(12-14-25)19(15-3-1-2-4-15)20(26)23-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,23,26)
InChIKeyGBXADUZTNFFABD-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.42
Rot. Bonds5

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

2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024341) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024341
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-7-5-16(6-8-17)21(27)25-13-11-24(12-14-25)19(15-3-1-2-4-15)20(26)23-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,23,26)
InChIKeyGBXADUZTNFFABD-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (CID 46024341) is 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is O=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is GBXADUZTNFFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-17-7-5-16(6-8-17)21(27)25-13-11-24(12-14-25)19(15-3-1-2-4-15)20(26)23-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,23,26).
What are the key properties of 2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-cyclopropyl-2-[4-(4-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-(4-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).