[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone

C14H18F2N2O2S — CID 110108455

IUPAC[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)3-5-17(6-4-14)10-8-18(9-11(10)19)13(20)12-2-1-7-21-12/h1-2,7,10-11,19H,3-6,8-9H2/t10-,11-/m1/s1
InChIKeyABAUQMQPIWNURQ-GHMZBOCLSA-N
MW316.37 g/mol
LogP1.66
Rot. Bonds2

About [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone

[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110108455) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110108455
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)3-5-17(6-4-14)10-8-18(9-11(10)19)13(20)12-2-1-7-21-12/h1-2,7,10-11,19H,3-6,8-9H2/t10-,11-/m1/s1
InChIKeyABAUQMQPIWNURQ-GHMZBOCLSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

(4-Hydroxypiperidin-1-yl)(1-(thiophene-2-carbonyl)azetidin-3-yl)methanone
CID 52907465
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(3-Ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779929
[(4aR,7aS)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-2-ylmethanone
CID 97508947
[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110108650
1-[4-Fluoro-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine
CID 110875922
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876012
[3-(Dimethylamino)-1-(thiophene-2-carbonyl)piperidin-4-YL]methanol
CID 110197492
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197278
4-Hydroxy-N~2~-(2-methoxyethyl)-1-[1-(2-thienylcarbonyl)-4-piperidyl]-2-pyrrolidinecarboxamide
CID 110197433
[4-(2-Hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3269057
[4-(3-Hydroxypropyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 56788646

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 110108455) is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ABAUQMQPIWNURQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-14(16)3-5-17(6-4-14)10-8-18(9-11(10)19)13(20)12-2-1-7-21-12/h1-2,7,10-11,19H,3-6,8-9H2/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 316.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110108455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).