[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C18H25FN2O2 — CID 95606984

IUPAC[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-14(22)13-20-8-10-21(11-9-20)17(23)18(6-3-7-18)15-4-2-5-16(19)12-15/h2,4-5,12,14,22H,3,6-11,13H2,1H3/t14-/m1/s1
InChIKeyUUSROVNEXHCUNB-CQSZACIVSA-N
MW320.41 g/mol
LogP1.77
Rot. Bonds4

About [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95606984) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95606984
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-14(22)13-20-8-10-21(11-9-20)17(23)18(6-3-7-18)15-4-2-5-16(19)12-15/h2,4-5,12,14,22H,3,6-11,13H2,1H3/t14-/m1/s1
InChIKeyUUSROVNEXHCUNB-CQSZACIVSA-N
XLogP1.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
CID 55369687
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95606984) is [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is C[C@@H](O)CN1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is UUSROVNEXHCUNB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14(22)13-20-8-10-21(11-9-20)17(23)18(6-3-7-18)15-4-2-5-16(19)12-15/h2,4-5,12,14,22H,3,6-11,13H2,1H3/t14-/m1/s1.
What are the key properties of [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95606984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).