[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone

C16H17NO2S — CID 58110219

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,18H,4,7-8,10H2/t14-/m0/s1
InChIKeyANKBRIQACHYTMY-AWEZNQCLSA-N
MW287.38 g/mol
LogP3.01
Rot. Bonds2

About [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone (PubChem CID 58110219) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
PubChem CID58110219
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C16H17NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,18H,4,7-8,10H2/t14-/m0/s1
InChIKeyANKBRIQACHYTMY-AWEZNQCLSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
CID 170207899
1-(3-hydroxypiperidin-1-yl)-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 110880467
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone (CID 58110219) is [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone is O=C(c1csc(-c2ccccc2)c1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone?
The InChIKey is ANKBRIQACHYTMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,11,14,18H,4,7-8,10H2/t14-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone is sourced from PubChem (CID 58110219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).