1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one

C18H27N3O2 — CID 26411042

IUPAC1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
SMILESO=C(CCc1cnccn1)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(7-6-16-13-19-8-9-20-16)21-10-11-23-17(14-21)12-15-4-2-1-3-5-15/h8-9,13,15,17H,1-7,10-12,14H2/t17-/m1/s1
InChIKeyJIUDISFCDWLBJS-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.61
Rot. Bonds5

About 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one

1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 26411042) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID26411042
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
SMILESO=C(CCc1cnccn1)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(7-6-16-13-19-8-9-20-16)21-10-11-23-17(14-21)12-15-4-2-1-3-5-15/h8-9,13,15,17H,1-7,10-12,14H2/t17-/m1/s1
InChIKeyJIUDISFCDWLBJS-QGZVFWFLSA-N
XLogP2.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one (CID 26411042) is 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one is O=C(CCc1cnccn1)N1CCO[C@H](CC2CCCCC2)C1.
What is the InChIKey of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is JIUDISFCDWLBJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(7-6-16-13-19-8-9-20-16)21-10-11-23-17(14-21)12-15-4-2-1-3-5-15/h8-9,13,15,17H,1-7,10-12,14H2/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 317.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 26411042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).