N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide

C21H23F2N3O2 — CID 7329126

IUPACN-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23F2N3O2/c22-16-4-8-18(9-5-16)24-20(27)2-1-3-21(28)26-14-12-25(13-15-26)19-10-6-17(23)7-11-19/h4-11H,1-3,12-15H2,(H,24,27)
InChIKeyKULAOIVVFHYIFS-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.42
Rot. Bonds6

About N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide

N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide (PubChem CID 7329126) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
PubChem CID7329126
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC NameN-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23F2N3O2/c22-16-4-8-18(9-5-16)24-20(27)2-1-3-21(28)26-14-12-25(13-15-26)19-10-6-17(23)7-11-19/h4-11H,1-3,12-15H2,(H,24,27)
InChIKeyKULAOIVVFHYIFS-UHFFFAOYSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
CID 3326442
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 51210880
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 9254916
2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
CID 15341403

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide?
The IUPAC name of N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide (CID 7329126) is N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide is O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide?
The InChIKey is KULAOIVVFHYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-16-4-8-18(9-5-16)24-20(27)2-1-3-21(28)26-14-12-25(13-15-26)19-10-6-17(23)7-11-19/h4-11H,1-3,12-15H2,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide?
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide has a molecular weight of 387.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 7329126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).