3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one

C19H29N3O2 — CID 110132289

IUPAC3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15-18(21-11-10-20-15)8-7-17-14-24-13-12-22(17)19(23)9-6-16-4-2-3-5-16/h10-11,16-17H,2-9,12-14H2,1H3
InChIKeyXNQFSQGEXGSCGL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.92
Rot. Bonds6

About 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one

3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one (PubChem CID 110132289) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one
PubChem CID110132289
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15-18(21-11-10-20-15)8-7-17-14-24-13-12-22(17)19(23)9-6-16-4-2-3-5-16/h10-11,16-17H,2-9,12-14H2,1H3
InChIKeyXNQFSQGEXGSCGL-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one (CID 110132289) is 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one is Cc1nccnc1CCC1COCCN1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one?
The InChIKey is XNQFSQGEXGSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-18(21-11-10-20-15)8-7-17-14-24-13-12-22(17)19(23)9-6-16-4-2-3-5-16/h10-11,16-17H,2-9,12-14H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one?
3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110132289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).