[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone

C18H24ClNO2 — CID 70898167

IUPAC[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
SMILESC[C@H](O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C18H24ClNO2/c1-13(21)14-4-2-11-20(12-14)17(22)18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,13-14,21H,2-4,9-12H2,1H3/t13-,14+/m0/s1
InChIKeyLBYXFJUZUYPYOF-UONOGXRCSA-N
MW321.85 g/mol
LogP3.38
Rot. Bonds3

About [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone (PubChem CID 70898167) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
PubChem CID70898167
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
SMILESC[C@H](O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C18H24ClNO2/c1-13(21)14-4-2-11-20(12-14)17(22)18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,13-14,21H,2-4,9-12H2,1H3/t13-,14+/m0/s1
InChIKeyLBYXFJUZUYPYOF-UONOGXRCSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(4-chlorophenyl)cyclobutane-1-carboxylic acid;[1-(4-chlorophenyl)cyclobutyl]-[3-(1-hydroxyethyl)piperidin-1-yl]methanone;[3-(1-hydroxyethyl)piperidin-1-yl]-methylborinic acid
CID 158254372
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
CID 91793765
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
CID 70719580
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 25448695
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone (CID 70898167) is [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone is C[C@H](O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone?
The InChIKey is LBYXFJUZUYPYOF-UONOGXRCSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-13(21)14-4-2-11-20(12-14)17(22)18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,13-14,21H,2-4,9-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone has a molecular weight of 321.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70898167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).