1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one

C16H27NO3 — CID 79057253

IUPAC1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27NO3/c18-15(6-5-14-4-3-11-20-14)16(7-1-2-8-16)17-9-12-19-13-10-17/h14H,1-13H2
InChIKeyXSMAMNZLEPVJCT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one

1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 79057253) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID79057253
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27NO3/c18-15(6-5-14-4-3-11-20-14)16(7-1-2-8-16)17-9-12-19-13-10-17/h14H,1-13H2
InChIKeyXSMAMNZLEPVJCT-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.16
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)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one (CID 79057253) is 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is XSMAMNZLEPVJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(6-5-14-4-3-11-20-14)16(7-1-2-8-16)17-9-12-19-13-10-17/h14H,1-13H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one?
1-(1-morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 2.16, 5 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)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 79057253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).