2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide

C25H27F2N3O4 — CID 25218500

IUPAC2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H27F2N3O4/c26-18-6-8-22(20(14-18)23(28)31)34-15-16-5-7-21(27)19(13-16)25(33)30-11-9-29(10-12-30)24(32)17-3-1-2-4-17/h5-8,13-14,17H,1-4,9-12,15H2,(H2,28,31)
InChIKeyGHUMCLKYJNJQFW-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.12
Rot. Bonds6

About 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide

2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide (PubChem CID 25218500) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide
PubChem CID25218500
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC Name2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H27F2N3O4/c26-18-6-8-22(20(14-18)23(28)31)34-15-16-5-7-21(27)19(13-16)25(33)30-11-9-29(10-12-30)24(32)17-3-1-2-4-17/h5-8,13-14,17H,1-4,9-12,15H2,(H2,28,31)
InChIKeyGHUMCLKYJNJQFW-UHFFFAOYSA-N
XLogP3.12
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Krp-101
CID 9825046
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}methoxy)benzamide
CID 11553859
2-[(3-{[4-(2-Phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)methoxy]benzamide
CID 11670314
2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methoxy)benzamide
CID 25218487
2-[(4-Fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)methoxy]benzamide
CID 25218488
2-(2-{3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}ethoxy)benzamide
CID 25218491
2-(2-{3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}ethoxy)benzamide
CID 25218492

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide?
The IUPAC name of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide (CID 25218500) is 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide.
What is the SMILES notation for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide?
The canonical SMILES for 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1OCc1ccc(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]-5-fluorobenzamide?
The InChIKey is GHUMCLKYJNJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c26-18-6-8-22(20(14-18)23(28)31)34-15-16-5-7-21(27)19(13-16)25(33)30-11-9-29(10-12-30)24(32)17-3-1-2-4-17/h5-8,13-14,17H,1-4,9-12,15H2,(H2,28,31).
What are the key properties of 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide?
2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]-5-fluorobenzamide has a molecular weight of 471.50 g/mol, XLogP of 3.12, 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]-5-fluorobenzamide is sourced from PubChem (CID 25218500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).