[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C20H23N3O2S — CID 51949199

IUPAC[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(16-3-1-8-21-13-16)22-10-5-15(6-11-22)20(25)23-9-2-4-18(23)17-7-12-26-14-17/h1,3,7-8,12-15,18H,2,4-6,9-11H2/t18-/m1/s1
InChIKeyIYZFFAMTLLHTFV-GOSISDBHSA-N
MW369.49 g/mol
LogP3.36
Rot. Bonds3

About [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51949199) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51949199
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(16-3-1-8-21-13-16)22-10-5-15(6-11-22)20(25)23-9-2-4-18(23)17-7-12-26-14-17/h1,3,7-8,12-15,18H,2,4-6,9-11H2/t18-/m1/s1
InChIKeyIYZFFAMTLLHTFV-GOSISDBHSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71895409
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
CID 133143529
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112

Frequently Asked Questions

What is the IUPAC name of [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51949199) is [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1.
What is the InChIKey of [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is IYZFFAMTLLHTFV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(16-3-1-8-21-13-16)22-10-5-15(6-11-22)20(25)23-9-2-4-18(23)17-7-12-26-14-17/h1,3,7-8,12-15,18H,2,4-6,9-11H2/t18-/m1/s1.
What are the key properties of [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51949199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).