6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

C15H17N3O3S — CID 119061216

IUPAC6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1cncc(=O)[nH]1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S/c19-13-9-16-8-11(17-13)15(21)18-5-3-10(4-6-18)14(20)12-2-1-7-22-12/h1-2,7-10,14,20H,3-6H2,(H,17,19)
InChIKeyMGKHGGZHEKLHTR-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.42
Rot. Bonds3

About 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 119061216) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID119061216
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1cncc(=O)[nH]1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S/c19-13-9-16-8-11(17-13)15(21)18-5-3-10(4-6-18)14(20)12-2-1-7-22-12/h1-2,7-10,14,20H,3-6H2,(H,17,19)
InChIKeyMGKHGGZHEKLHTR-UHFFFAOYSA-N
XLogP1.42
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-isoquinolin-5-ylmethanone
CID 95559763
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 97129509
1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 74233473
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 74240062
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 45186286
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 126438461
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide
CID 122565497
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42454113

Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 119061216) is 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1cncc(=O)[nH]1)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is MGKHGGZHEKLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13-9-16-8-11(17-13)15(21)18-5-3-10(4-6-18)14(20)12-2-1-7-22-12/h1-2,7-10,14,20H,3-6H2,(H,17,19).
What are the key properties of 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 319.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 119061216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).