1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one

C17H29NO3 — CID 79059014

IUPAC1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C17H29NO3/c19-16(7-3-5-15-6-4-12-21-15)17(8-1-2-9-17)18-10-13-20-14-11-18/h15H,1-14H2
InChIKeyNRPYNSAYGORGOY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.55
Rot. Bonds6

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

1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 79059014) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
PubChem CID79059014
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C17H29NO3/c19-16(7-3-5-15-6-4-12-21-15)17(8-1-2-9-17)18-10-13-20-14-11-18/h15H,1-14H2
InChIKeyNRPYNSAYGORGOY-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.55
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)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one (CID 79059014) is 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one is O=C(CCCC1CCCO1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is NRPYNSAYGORGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(7-3-5-15-6-4-12-21-15)17(8-1-2-9-17)18-10-13-20-14-11-18/h15H,1-14H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 295.42 g/mol, XLogP of 2.55, 6 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)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 79059014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).