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

C17H32Cl2N2O3 — CID 13158781

IUPAC2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride
SMILESCC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H30N2O3.2ClH/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;2*1H
InChIKeyQGOZKYIFBFESCF-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.87
Rot. Bonds4

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

2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride (PubChem CID 13158781) has the molecular formula C17H32Cl2N2O3 and a molecular weight of 383.36 g/mol. Its IUPAC name is 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride.

Molecular Properties

Compound Name2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride
PubChem CID13158781
Molecular FormulaC17H32Cl2N2O3
Molecular Weight383.36 g/mol
Exact Mass382.18
IUPAC Name2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride
SMILESCC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H30N2O3.2ClH/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;2*1H
InChIKeyQGOZKYIFBFESCF-UHFFFAOYSA-N
XLogP1.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride?
The IUPAC name of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride (CID 13158781) is 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride.
What is the SMILES notation for 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride?
The canonical SMILES for 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride is CC(C1CCC(C(C)N2CCOCC2)C1=O)N1CCOCC1.Cl.Cl.
What is the InChIKey of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride?
The InChIKey is QGOZKYIFBFESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.2ClH/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;2*1H.
What are the key properties of 2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride?
2,5-bis(1-morpholin-4-ylethyl)cyclopentan-1-one;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 1.87, 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;dihydrochloride is sourced from PubChem (CID 13158781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).