2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide

C20H22FN3O2 — CID 18082983

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O2/c1-15(19(25)22-18-9-7-17(21)8-10-18)23-11-13-24(14-12-23)20(26)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyQIGODHGDSSNPTC-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide

2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 18082983) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
PubChem CID18082983
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O2/c1-15(19(25)22-18-9-7-17(21)8-10-18)23-11-13-24(14-12-23)20(26)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyQIGODHGDSSNPTC-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
CID 46406003
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide (CID 18082983) is 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is QIGODHGDSSNPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-15(19(25)22-18-9-7-17(21)8-10-18)23-11-13-24(14-12-23)20(26)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 355.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 18082983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).