(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone

C17H23NO2 — CID 43416776

IUPAC(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCCC(O)C3)CCC2)c1
InChIInChI=1S/C17H23NO2/c1-13-5-2-6-14(11-13)17(8-4-9-17)16(20)18-10-3-7-15(19)12-18/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3
InChIKeyACTMJWPHJUVXDV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.40
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone

(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone (PubChem CID 43416776) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
PubChem CID43416776
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCCC(O)C3)CCC2)c1
InChIInChI=1S/C17H23NO2/c1-13-5-2-6-14(11-13)17(8-4-9-17)16(20)18-10-3-7-15(19)12-18/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3
InChIKeyACTMJWPHJUVXDV-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
4-[1-(3-methylphenyl)cyclobutanecarbonyl]-1,4-diazepan-2-one
CID 62897383
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone (CID 43416776) is (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone is Cc1cccc(C2(C(=O)N3CCCC(O)C3)CCC2)c1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
The InChIKey is ACTMJWPHJUVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-5-2-6-14(11-13)17(8-4-9-17)16(20)18-10-3-7-15(19)12-18/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone?
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone is sourced from PubChem (CID 43416776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).