[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

C22H25FN2O2 — CID 112763134

IUPAC[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(O)cc2)CC1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C22H25FN2O2/c23-18-5-3-17(4-6-18)22(11-1-2-12-22)21(27)25-15-13-24(14-16-25)19-7-9-20(26)10-8-19/h3-10,26H,1-2,11-16H2
InChIKeyYYIYEPLQHHSNHY-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.69
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 112763134) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID112763134
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(O)cc2)CC1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C22H25FN2O2/c23-18-5-3-17(4-6-18)22(11-1-2-12-22)21(27)25-15-13-24(14-16-25)19-7-9-20(26)10-8-19/h3-10,26H,1-2,11-16H2
InChIKeyYYIYEPLQHHSNHY-UHFFFAOYSA-N
XLogP3.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 51246196
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 112763134) is [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccc(O)cc2)CC1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YYIYEPLQHHSNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-5-3-17(4-6-18)22(11-1-2-12-22)21(27)25-15-13-24(14-16-25)19-7-9-20(26)10-8-19/h3-10,26H,1-2,11-16H2.
What are the key properties of [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 368.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112763134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).