2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone

C20H27FN2O2 — CID 110366873

IUPAC2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H27FN2O2/c1-15-7-8-18(21)17(13-15)19(24)14-22-9-11-23(12-10-22)20(25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyRQBZAXUKHXJCHN-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone (PubChem CID 110366873) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
PubChem CID110366873
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H27FN2O2/c1-15-7-8-18(21)17(13-15)19(24)14-22-9-11-23(12-10-22)20(25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyRQBZAXUKHXJCHN-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432
1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110366908
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110366922
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 31931671
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone (CID 110366873) is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone?
The InChIKey is RQBZAXUKHXJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-15-7-8-18(21)17(13-15)19(24)14-22-9-11-23(12-10-22)20(25)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3.
What are the key properties of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone?
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone has a molecular weight of 346.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 110366873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).