N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

C17H22N4O2S — CID 124942401

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccs1
InChIInChI=1S/C17H22N4O2S/c1-20(16(22)10-14-4-2-9-24-14)12-17(23)5-3-8-21(13-17)15-11-18-6-7-19-15/h2,4,6-7,9,11,23H,3,5,8,10,12-13H2,1H3/t17-/m1/s1
InChIKeyAUQIKAFOJIVZML-QGZVFWFLSA-N
MW346.46 g/mol
LogP1.57
Rot. Bonds5

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 124942401) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID124942401
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccs1
InChIInChI=1S/C17H22N4O2S/c1-20(16(22)10-14-4-2-9-24-14)12-17(23)5-3-8-21(13-17)15-11-18-6-7-19-15/h2,4,6-7,9,11,23H,3,5,8,10,12-13H2,1H3/t17-/m1/s1
InChIKeyAUQIKAFOJIVZML-QGZVFWFLSA-N
XLogP1.57
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110124042
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 124973541
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110123556
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 124973495

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (CID 124942401) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccs1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is AUQIKAFOJIVZML-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(16(22)10-14-4-2-9-24-14)12-17(23)5-3-8-21(13-17)15-11-18-6-7-19-15/h2,4,6-7,9,11,23H,3,5,8,10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 346.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 124942401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).