1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one

C18H22FN3O2 — CID 113209885

IUPAC1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN3O2/c1-12(23)21-6-8-22(9-7-21)17(24)18(2,3)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-11,20H,6-9H2,1-3H3
InChIKeyPRBQVEMJXCSKJW-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one

1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 113209885) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID113209885
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN3O2/c1-12(23)21-6-8-22(9-7-21)17(24)18(2,3)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-11,20H,6-9H2,1-3H3
InChIKeyPRBQVEMJXCSKJW-UHFFFAOYSA-N
XLogP2.28
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113209925
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one
CID 113210139
2-(5-chloro-1H-indol-3-yl)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 113210074
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one (CID 113209885) is 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one is CC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is PRBQVEMJXCSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(23)21-6-8-22(9-7-21)17(24)18(2,3)15-11-20-16-5-4-13(19)10-14(15)16/h4-5,10-11,20H,6-9H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one?
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 113209885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).