2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one

C17H30N2O3 — CID 13158780

IUPAC2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one
SMILESCC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1
InChIInChI=1S/C17H30N2O3/c1-13(18-5-9-21-10-6-18)15-3-4-16(17(15)20)14(2)19-7-11-22-12-8-19/h13-16H,3-12H2,1-2H3
InChIKeyVZXHPXABMPLTJH-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.02
Rot. Bonds4

About 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one

2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one (PubChem CID 13158780) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one
PubChem CID13158780
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one
SMILESCC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1
InChIInChI=1S/C17H30N2O3/c1-13(18-5-9-21-10-6-18)15-3-4-16(17(15)20)14(2)19-7-11-22-12-8-19/h13-16H,3-12H2,1-2H3
InChIKeyVZXHPXABMPLTJH-UHFFFAOYSA-N
XLogP1.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Bis(morpholinomethyl)cyclohexanone
CID 373397
2-(Morpholinomethyl)cyclododecanone
CID 376400
1-[(1R,2S)-2-morpholin-4-ylcyclohexyl]ethanone
CID 60111136
Bis[1-(2-methoxyethyl)piperidin-3-yl]methanone
CID 90715651
1-[1-(2-Ethoxyethyl)piperidin-3-yl]-5-piperidin-1-ylpentan-2-one
CID 129276818
1-(2-Morpholin-4-ylcyclooctyl)propan-1-one
CID 134546466
2,5-Bis(morpholin-4-ylmethyl)cyclopentan-1-one
CID 412280
2,8-Bis(4-morpholinylmethyl)cyclooctanone
CID 3045398
2,5-Bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride
CID 13158781
1-(2-Morpholin-4-ylcyclopentyl)ethanone
CID 13611358
1-(2-Morpholin-4-ylcyclohexyl)ethanone
CID 13611361
1,8-Bis(2-morpholin-4-ylcyclopentyl)octane-1,8-dione
CID 13664667

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one?
The IUPAC name of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one (CID 13158780) is 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one.
What is the SMILES notation for 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one?
The canonical SMILES for 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one is CC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1.
What is the InChIKey of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one?
The InChIKey is VZXHPXABMPLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(18-5-9-21-10-6-18)15-3-4-16(17(15)20)14(2)19-7-11-22-12-8-19/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one?
2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one has a molecular weight of 310.44 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one is sourced from PubChem (CID 13158780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).