[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C18H22N4OS — CID 37023275

IUPAC[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N4OS/c23-18(22-10-2-5-15(22)16-6-3-11-24-16)14-4-1-9-21(13-14)17-12-19-7-8-20-17/h3,6-8,11-12,14-15H,1-2,4-5,9-10,13H2/t14-,15-/m1/s1
InChIKeyCQKBGZIUWSQJCA-HUUCEWRRSA-N
MW342.47 g/mol
LogP3.12
Rot. Bonds3

About [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 37023275) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID37023275
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N4OS/c23-18(22-10-2-5-15(22)16-6-3-11-24-16)14-4-1-9-21(13-14)17-12-19-7-8-20-17/h3,6-8,11-12,14-15H,1-2,4-5,9-10,13H2/t14-,15-/m1/s1
InChIKeyCQKBGZIUWSQJCA-HUUCEWRRSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95579135
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95133730

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 37023275) is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is CQKBGZIUWSQJCA-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-18(22-10-2-5-15(22)16-6-3-11-24-16)14-4-1-9-21(13-14)17-12-19-7-8-20-17/h3,6-8,11-12,14-15H,1-2,4-5,9-10,13H2/t14-,15-/m1/s1.
What are the key properties of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 342.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 37023275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).