N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide

C16H18N4O3S — CID 70765396

IUPACN-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)Cc2cccs2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C16H18N4O3S/c21-14-10-20(15(22)8-11-2-1-7-24-11)6-3-12(14)19-16(23)13-9-17-4-5-18-13/h1-2,4-5,7,9,12,14,21H,3,6,8,10H2,(H,19,23)/t12-,14-/m1/s1
InChIKeyCMNYDKDGFITQLH-TZMCWYRMSA-N
MW346.41 g/mol
LogP0.47
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70765396) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70765396
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)Cc2cccs2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C16H18N4O3S/c21-14-10-20(15(22)8-11-2-1-7-24-11)6-3-12(14)19-16(23)13-9-17-4-5-18-13/h1-2,4-5,7,9,12,14,21H,3,6,8,10H2,(H,19,23)/t12-,14-/m1/s1
InChIKeyCMNYDKDGFITQLH-TZMCWYRMSA-N
XLogP0.47
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(1R,9S)-6-oxo-11-(2-thiophen-2-ylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide
CID 7155547
N-(2-thiophen-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 110741726
[(3aR,7aS)-2-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 97377247
N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70704731
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
N-[(3S,3aR,7aR)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842376
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 87051841

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 70765396) is N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCN(C(=O)Cc2cccs2)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is CMNYDKDGFITQLH-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-14-10-20(15(22)8-11-2-1-7-24-11)6-3-12(14)19-16(23)13-9-17-4-5-18-13/h1-2,4-5,7,9,12,14,21H,3,6,8,10H2,(H,19,23)/t12-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70765396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).