1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone

C23H31N3O3 — CID 16673169

IUPAC1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone
SMILESCCCC1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-4-21-22-5-3-10-24(22)11-12-26(21)17-19-6-8-20(9-7-19)29-18-23(27)25-13-15-28-16-14-25/h3,5-10,21H,2,4,11-18H2,1H3
InChIKeyXKVHBRQNXOEAND-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.08
Rot. Bonds7

About 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone

1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone (PubChem CID 16673169) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone
PubChem CID16673169
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone
SMILESCCCC1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-4-21-22-5-3-10-24(22)11-12-26(21)17-19-6-8-20(9-7-19)29-18-23(27)25-13-15-28-16-14-25/h3,5-10,21H,2,4,11-18H2,1H3
InChIKeyXKVHBRQNXOEAND-UHFFFAOYSA-N
XLogP3.08
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone (CID 16673169) is 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone is CCCC1c2cccn2CCN1Cc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone?
The InChIKey is XKVHBRQNXOEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-4-21-22-5-3-10-24(22)11-12-26(21)17-19-6-8-20(9-7-19)29-18-23(27)25-13-15-28-16-14-25/h3,5-10,21H,2,4,11-18H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone?
1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone has a molecular weight of 397.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenoxy]ethanone is sourced from PubChem (CID 16673169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).