5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C15H21N3O4 — CID 122057315

IUPAC5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1
InChIInChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21)
InChIKeyPRIVYWZIBVVCGR-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.93
Rot. Bonds3

About 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid

5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122057315) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122057315
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1
InChIInChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21)
InChIKeyPRIVYWZIBVVCGR-UHFFFAOYSA-N
XLogP0.93
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-hydroxycyclopentyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057879
cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol
CID 125418879
5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129491902
2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 126815933
cis-(1R,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423837
cis-(1S,2S)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423839
trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423838
methyl 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylate
CID 114059771
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122048062
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122057315) is 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1.
What is the InChIKey of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is PRIVYWZIBVVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21).
What are the key properties of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).