3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

C19H29N3O2 — CID 110132244

IUPAC3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCOCC1CCc1cnccn1
InChIInChI=1S/C19H29N3O2/c23-19(9-6-16-4-2-1-3-5-16)22-12-13-24-15-18(22)8-7-17-14-20-10-11-21-17/h10-11,14,16,18H,1-9,12-13,15H2
InChIKeyNDJOMEGUIKPZIG-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds6

About 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 110132244) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID110132244
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCOCC1CCc1cnccn1
InChIInChI=1S/C19H29N3O2/c23-19(9-6-16-4-2-1-3-5-16)22-12-13-24-15-18(22)8-7-17-14-20-10-11-21-17/h10-11,14,16,18H,1-9,12-13,15H2
InChIKeyNDJOMEGUIKPZIG-UHFFFAOYSA-N
XLogP3.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (CID 110132244) is 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCOCC1CCc1cnccn1.
What is the InChIKey of 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is NDJOMEGUIKPZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(9-6-16-4-2-1-3-5-16)22-12-13-24-15-18(22)8-7-17-14-20-10-11-21-17/h10-11,14,16,18H,1-9,12-13,15H2.
What are the key properties of 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110132244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).