2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide

C25H28FN3O4 — CID 25218487

IUPAC2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H28FN3O4/c26-21-10-9-17(16-33-22-8-4-3-7-19(22)23(27)30)15-20(21)25(32)29-13-11-28(12-14-29)24(31)18-5-1-2-6-18/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2,(H2,27,30)
InChIKeyFCXVNULBKZOQHX-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.98
Rot. Bonds6

About 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide

2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide (PubChem CID 25218487) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide
PubChem CID25218487
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H28FN3O4/c26-21-10-9-17(16-33-22-8-4-3-7-19(22)23(27)30)15-20(21)25(32)29-13-11-28(12-14-29)24(31)18-5-1-2-6-18/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2,(H2,27,30)
InChIKeyFCXVNULBKZOQHX-UHFFFAOYSA-N
XLogP2.98
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide (CID 25218487) is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide?
The InChIKey is FCXVNULBKZOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c26-21-10-9-17(16-33-22-8-4-3-7-19(22)23(27)30)15-20(21)25(32)29-13-11-28(12-14-29)24(31)18-5-1-2-6-18/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2,(H2,27,30).
What are the key properties of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide?
2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide has a molecular weight of 453.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide is sourced from PubChem (CID 25218487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).