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

C19H26FN3O2 — CID 24715788

IUPAC2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-18(24)17(14-4-2-3-5-14)22-10-12-23(13-11-22)19(25)15-6-8-16(20)9-7-15/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,24)
InChIKeyRLPGFMNFFMKHIC-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.89
Rot. Bonds4

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

2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 24715788) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID24715788
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-18(24)17(14-4-2-3-5-14)22-10-12-23(13-11-22)19(25)15-6-8-16(20)9-7-15/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,24)
InChIKeyRLPGFMNFFMKHIC-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 24715788) is 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is RLPGFMNFFMKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-18(24)17(14-4-2-3-5-14)22-10-12-23(13-11-22)19(25)15-6-8-16(20)9-7-15/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,24).
What are the key properties of 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 347.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24715788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).