ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione

C26H42FN5O4 — CID 156707469

IUPACethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC.CCN1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)C(F)C1
InChIInChI=1S/C24H36FN5O4.C2H6/c1-2-27-12-7-21(20(25)17-27)34-19-5-10-28(11-6-19)14-15-29-9-3-4-18(23(29)32)16-30-13-8-22(31)26-24(30)33;1-2/h3-4,9,19-21H,2,5-8,10-17H2,1H3,(H,26,31,33);1-2H3
InChIKeyUUWZUCVRHIJDAR-UHFFFAOYSA-N
MW507.65 g/mol
LogP2.23
Rot. Bonds8

About ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione

ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 156707469) has the molecular formula C26H42FN5O4 and a molecular weight of 507.65 g/mol. Its IUPAC name is ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID156707469
Molecular FormulaC26H42FN5O4
Molecular Weight507.65 g/mol
Exact Mass507.32
IUPAC Nameethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC.CCN1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)C(F)C1
InChIInChI=1S/C24H36FN5O4.C2H6/c1-2-27-12-7-21(20(25)17-27)34-19-5-10-28(11-6-19)14-15-29-9-3-4-18(23(29)32)16-30-13-8-22(31)26-24(30)33;1-2/h3-4,9,19-21H,2,5-8,10-17H2,1H3,(H,26,31,33);1-2H3
InChIKeyUUWZUCVRHIJDAR-UHFFFAOYSA-N
XLogP2.23
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
CID 156707375
1-[[2-oxo-1-[2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]ethyl]-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
CID 165372756
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 174356600
CID 174353163
CID 174353163
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 85448287
15-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[2-[4-[[3-[6-[4-[[4-[1-[2-[3-[(2,4-dioxo-1,3-diazinan-1-yl)methyl]-2-oxo-1-pyridinyl]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]carbamoyl]-3-fluorophenyl]propan-2-yloxy]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]nonacosane-1,15,29-tricarboxylic acid
CID 165116515
5-(2-aminoethyl)-6-ethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627546
3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione (CID 156707469) is ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione is CC.CCN1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)C(F)C1.
What is the InChIKey of ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is UUWZUCVRHIJDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5O4.C2H6/c1-2-27-12-7-21(20(25)17-27)34-19-5-10-28(11-6-19)14-15-29-9-3-4-18(23(29)32)16-30-13-8-22(31)26-24(30)33;1-2/h3-4,9,19-21H,2,5-8,10-17H2,1H3,(H,26,31,33);1-2H3.
What are the key properties of ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?
ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 507.65 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-[2-[4-(1-ethyl-3-fluoropiperidin-4-yl)oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156707469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).