2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

C21H23F2N3O2 — CID 9223420

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-15(18-8-7-17(22)13-19(18)23)24-20(27)14-25-9-11-26(12-10-25)21(28)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyMOYVEMNCZVBZMA-HNNXBMFYSA-N
MW387.43 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 9223420) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID9223420
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O2/c1-15(18-8-7-17(22)13-19(18)23)24-20(27)14-25-9-11-26(12-10-25)21(28)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyMOYVEMNCZVBZMA-HNNXBMFYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8555153
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592393
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
methyl (2S,3S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-methylpentanoate
CID 8597260

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 9223420) is 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is MOYVEMNCZVBZMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-15(18-8-7-17(22)13-19(18)23)24-20(27)14-25-9-11-26(12-10-25)21(28)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 2.60, 5 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-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 9223420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).