3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one

C17H27N5O3 — CID 56720257

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H27N5O3/c1-25-12-11-22-6-2-3-17(24,16(22)23)14-20-7-9-21(10-8-20)15-13-18-4-5-19-15/h4-5,13,24H,2-3,6-12,14H2,1H3
InChIKeyIDNTWMUZJSCKSQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.40
Rot. Bonds6

About 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 56720257) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID56720257
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H27N5O3/c1-25-12-11-22-6-2-3-17(24,16(22)23)14-20-7-9-21(10-8-20)15-13-18-4-5-19-15/h4-5,13,24H,2-3,6-12,14H2,1H3
InChIKeyIDNTWMUZJSCKSQ-UHFFFAOYSA-N
XLogP-0.40
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one (CID 56720257) is 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one is COCCN1CCCC(O)(CN2CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is IDNTWMUZJSCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-25-12-11-22-6-2-3-17(24,16(22)23)14-20-7-9-21(10-8-20)15-13-18-4-5-19-15/h4-5,13,24H,2-3,6-12,14H2,1H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 349.44 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 56720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).