lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone

C20H29F2LiN2O4-2 — CID 176950729

IUPAClithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone
SMILESCC(C)(C)O[C-]=O.[CH2-]CC(F)(F)C([CH2-])c1c[nH]c(=O)c(CN2CCOCC2)c1.[Li+]
InChIInChI=1S/C15H20F2N2O2.C5H9O2.Li/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19;1-5(2,3)7-4-6;/h8-9,11H,1-7,10H2,(H,18,20);1-3H3;/q-2;-1;+1
InChIKeyMGYCMMMYUPWDHU-UHFFFAOYSA-N
MW406.40 g/mol
LogP-0.14
Rot. Bonds6

About lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone

lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone (PubChem CID 176950729) has the molecular formula C20H29F2LiN2O4-2 and a molecular weight of 406.40 g/mol. Its IUPAC name is lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone.

Molecular Properties

Compound Namelithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone
PubChem CID176950729
Molecular FormulaC20H29F2LiN2O4-2
Molecular Weight406.40 g/mol
Exact Mass406.23
IUPAC Namelithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone
SMILESCC(C)(C)O[C-]=O.[CH2-]CC(F)(F)C([CH2-])c1c[nH]c(=O)c(CN2CCOCC2)c1.[Li+]
InChIInChI=1S/C15H20F2N2O2.C5H9O2.Li/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19;1-5(2,3)7-4-6;/h8-9,11H,1-7,10H2,(H,18,20);1-3H3;/q-2;-1;+1
InChIKeyMGYCMMMYUPWDHU-UHFFFAOYSA-N
XLogP-0.14
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride
CID 163237704
5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 163237705
tert-butyl 3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidine-1-carboxylate
CID 176264792
tert-butyl 4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidine-1-carboxylate
CID 176264913
lithium;5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone
CID 176950750
5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 176950730

Frequently Asked Questions

What is the IUPAC name of lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone?
The IUPAC name of lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone (CID 176950729) is lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone.
What is the SMILES notation for lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone?
The canonical SMILES for lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone is CC(C)(C)O[C-]=O.[CH2-]CC(F)(F)C([CH2-])c1c[nH]c(=O)c(CN2CCOCC2)c1.[Li+].
What is the InChIKey of lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone?
The InChIKey is MGYCMMMYUPWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.C5H9O2.Li/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19;1-5(2,3)7-4-6;/h8-9,11H,1-7,10H2,(H,18,20);1-3H3;/q-2;-1;+1.
What are the key properties of lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone?
lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone has a molecular weight of 406.40 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;(2-methylpropan-2-yl)oxymethanone is sourced from PubChem (CID 176950729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).