4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide

C27H28FN3O3 — CID 169272756

IUPAC4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H28FN3O3/c1-2-12-29-26(33)19-6-9-22(10-7-19)30-13-15-31(16-14-30)27(34)21-8-11-24(25(28)18-21)20-4-3-5-23(32)17-20/h3-11,17-18,32H,2,12-16H2,1H3,(H,29,33)
InChIKeyFLPSWCWYCVFCPT-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.30
Rot. Bonds6

About 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide

4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 169272756) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID169272756
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(O)c4)c(F)c3)CC2)cc1
InChIInChI=1S/C27H28FN3O3/c1-2-12-29-26(33)19-6-9-22(10-7-19)30-13-15-31(16-14-30)27(34)21-8-11-24(25(28)18-21)20-4-3-5-23(32)17-20/h3-11,17-18,32H,2,12-16H2,1H3,(H,29,33)
InChIKeyFLPSWCWYCVFCPT-UHFFFAOYSA-N
XLogP4.30
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271315
4-[4-[[4-(3-ethoxyphenyl)-3-fluorophenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169270928
4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
CID 169271007
4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271030
4-[4-[[4-(3-hydroxyphenyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272324
4-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272158
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
4-[4-[4-(3-hydroxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]benzoic acid
CID 169272421
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169271309
4-[4-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-methylsulfonylbenzamide
CID 169273199

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide (CID 169272756) is 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(O)c4)c(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is FLPSWCWYCVFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-2-12-29-26(33)19-6-9-22(10-7-19)30-13-15-31(16-14-30)27(34)21-8-11-24(25(28)18-21)20-4-3-5-23(32)17-20/h3-11,17-18,32H,2,12-16H2,1H3,(H,29,33).
What are the key properties of 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 461.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 169272756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).