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

C26H30FN3O4 — CID 25218492

IUPAC2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H30FN3O4/c27-22-10-9-18(11-16-34-23-8-4-3-7-20(23)24(28)31)17-21(22)26(33)30-14-12-29(13-15-30)25(32)19-5-1-2-6-19/h3-4,7-10,17,19H,1-2,5-6,11-16H2,(H2,28,31)
InChIKeyMGRXLBMAFBOFSC-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.02
Rot. Bonds7

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

2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide (PubChem CID 25218492) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide
PubChem CID25218492
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H30FN3O4/c27-22-10-9-18(11-16-34-23-8-4-3-7-20(23)24(28)31)17-21(22)26(33)30-14-12-29(13-15-30)25(32)19-5-1-2-6-19/h3-4,7-10,17,19H,1-2,5-6,11-16H2,(H2,28,31)
InChIKeyMGRXLBMAFBOFSC-UHFFFAOYSA-N
XLogP3.02
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.02
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
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
3-(4-Benzoylpiperazine-1-carbonyl)coumarin
CID 1143426
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide?
The IUPAC name of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide (CID 25218492) is 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide?
The canonical SMILES for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide is NC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide?
The InChIKey is MGRXLBMAFBOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c27-22-10-9-18(11-16-34-23-8-4-3-7-20(23)24(28)31)17-21(22)26(33)30-14-12-29(13-15-30)25(32)19-5-1-2-6-19/h3-4,7-10,17,19H,1-2,5-6,11-16H2,(H2,28,31).
What are the key properties of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide?
2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide has a molecular weight of 467.54 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]ethoxy]benzamide is sourced from PubChem (CID 25218492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).