[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

C14H16N2O2S — CID 107224289

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H16N2O2S/c17-11-4-3-8-16(10-11)14(18)13-12(5-9-19-13)15-6-1-2-7-15/h1-2,5-7,9,11,17H,3-4,8,10H2/t11-/m0/s1
InChIKeyWPIDGJWLKRWNBV-NSHDSACASA-N
MW276.36 g/mol
LogP2.14
Rot. Bonds2

About [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone (PubChem CID 107224289) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
PubChem CID107224289
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H16N2O2S/c17-11-4-3-8-16(10-11)14(18)13-12(5-9-19-13)15-6-1-2-7-15/h1-2,5-7,9,11,17H,3-4,8,10H2/t11-/m0/s1
InChIKeyWPIDGJWLKRWNBV-NSHDSACASA-N
XLogP2.14
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 154773758
cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 154852614
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 6620143
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713875
1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,4-diazepan-5-one
CID 62045906
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 43048939

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone (CID 107224289) is [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone is O=C(c1sccc1-n1cccc1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The InChIKey is WPIDGJWLKRWNBV-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-11-4-3-8-16(10-11)14(18)13-12(5-9-19-13)15-6-1-2-7-15/h1-2,5-7,9,11,17H,3-4,8,10H2/t11-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 107224289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).