1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone

C16H27NO3 — CID 79058542

IUPAC1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27NO3/c18-15(13-14-3-9-19-10-4-14)16(5-1-2-6-16)17-7-11-20-12-8-17/h14H,1-13H2
InChIKeyYKVFNHIJVGUZPI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds4

About 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone

1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone (PubChem CID 79058542) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone
PubChem CID79058542
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27NO3/c18-15(13-14-3-9-19-10-4-14)16(5-1-2-6-16)17-7-11-20-12-8-17/h14H,1-13H2
InChIKeyYKVFNHIJVGUZPI-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone (CID 79058542) is 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone?
The InChIKey is YKVFNHIJVGUZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(13-14-3-9-19-10-4-14)16(5-1-2-6-16)17-7-11-20-12-8-17/h14H,1-13H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone?
1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 79058542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).