3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one

C21H29FN2O2 — CID 108533931

IUPAC3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O2/c22-19-9-6-18(7-10-19)16-21(26)24-14-12-23(13-15-24)20(25)11-8-17-4-2-1-3-5-17/h6-7,9-10,17H,1-5,8,11-16H2
InChIKeyTYRHPJJQXSHIGL-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.40
Rot. Bonds5

About 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 108533931) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID108533931
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O2/c22-19-9-6-18(7-10-19)16-21(26)24-14-12-23(13-15-24)20(25)11-8-17-4-2-1-3-5-17/h6-7,9-10,17H,1-5,8,11-16H2
InChIKeyTYRHPJJQXSHIGL-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
3-cyclopentyl-1-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 78857174
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797192
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one (CID 108533931) is 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is TYRHPJJQXSHIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-9-6-18(7-10-19)16-21(26)24-14-12-23(13-15-24)20(25)11-8-17-4-2-1-3-5-17/h6-7,9-10,17H,1-5,8,11-16H2.
What are the key properties of 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 360.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).