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

C25H39N5O4 — CID 165372756

IUPAC1-[[2-oxo-1-[2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]ethyl]-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)CC1
InChIInChI=1S/C25H39N5O4/c1-19(2)28-13-7-22(8-14-28)34-21-5-11-27(12-6-21)16-17-29-10-3-4-20(24(29)32)18-30-15-9-23(31)26-25(30)33/h3-4,10,19,21-22H,5-9,11-18H2,1-2H3,(H,26,31,33)
InChIKeyUPVCYEXGMNPABM-UHFFFAOYSA-N
MW473.62 g/mol
LogP1.64
Rot. Bonds8

About 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

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 (PubChem CID 165372756) has the molecular formula C25H39N5O4 and a molecular weight of 473.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[2-oxo-1-[2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]ethyl]-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID165372756
Molecular FormulaC25H39N5O4
Molecular Weight473.62 g/mol
Exact Mass473.30
IUPAC Name1-[[2-oxo-1-[2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]ethyl]-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)CC1
InChIInChI=1S/C25H39N5O4/c1-19(2)28-13-7-22(8-14-28)34-21-5-11-27(12-6-21)16-17-29-10-3-4-20(24(29)32)18-30-15-9-23(31)26-25(30)33/h3-4,10,19,21-22H,5-9,11-18H2,1-2H3,(H,26,31,33)
InChIKeyUPVCYEXGMNPABM-UHFFFAOYSA-N
XLogP1.64
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
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
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 174356600
1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
CID 166116720
CID 174353163
CID 174353163
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862
5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide
CID 90935112
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
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
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
1-[[1-[2-[4-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-3-methyl-1-(3-oxopropyl)urea
CID 156707650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is UPVCYEXGMNPABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O4/c1-19(2)28-13-7-22(8-14-28)34-21-5-11-27(12-6-21)16-17-29-10-3-4-20(24(29)32)18-30-15-9-23(31)26-25(30)33/h3-4,10,19,21-22H,5-9,11-18H2,1-2H3,(H,26,31,33).
What are the key properties of 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?
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 has a molecular weight of 473.62 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165372756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).