5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C16H24N4O4 — CID 72903131

IUPAC5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H24N4O4/c21-11-13-5-12(8-19-1-3-24-4-2-19)9-20(10-13)16(23)14-6-18-15(22)7-17-14/h6-7,12-13,21H,1-5,8-11H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyJHAHISCIBVWJKT-CHWSQXEVSA-N
MW336.39 g/mol
LogP-0.83
Rot. Bonds4

About 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 72903131) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID72903131
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H24N4O4/c21-11-13-5-12(8-19-1-3-24-4-2-19)9-20(10-13)16(23)14-6-18-15(22)7-17-14/h6-7,12-13,21H,1-5,8-11H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyJHAHISCIBVWJKT-CHWSQXEVSA-N
XLogP-0.83
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 72903131) is 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1.
What is the InChIKey of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is JHAHISCIBVWJKT-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-11-13-5-12(8-19-1-3-24-4-2-19)9-20(10-13)16(23)14-6-18-15(22)7-17-14/h6-7,12-13,21H,1-5,8-11H2,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 336.39 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 72903131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).