1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one

C18H28N4O2 — CID 110132311

IUPAC1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCN1CCCC1
InChIInChI=1S/C18H28N4O2/c1-15-17(20-8-7-19-15)5-4-16-14-24-13-12-22(16)18(23)6-11-21-9-2-3-10-21/h7-8,16H,2-6,9-14H2,1H3
InChIKeyCLOYWBATUBYYCJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.43
Rot. Bonds6

About 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one

1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 110132311) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID110132311
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1nccnc1CCC1COCCN1C(=O)CCN1CCCC1
InChIInChI=1S/C18H28N4O2/c1-15-17(20-8-7-19-15)5-4-16-14-24-13-12-22(16)18(23)6-11-21-9-2-3-10-21/h7-8,16H,2-6,9-14H2,1H3
InChIKeyCLOYWBATUBYYCJ-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 110132311) is 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one is Cc1nccnc1CCC1COCCN1C(=O)CCN1CCCC1.
What is the InChIKey of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CLOYWBATUBYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-17(20-8-7-19-15)5-4-16-14-24-13-12-22(16)18(23)6-11-21-9-2-3-10-21/h7-8,16H,2-6,9-14H2,1H3.
What are the key properties of 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 110132311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).