1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione

C25H34FN5O2 — CID 176561926

IUPAC1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)c(C)c12
InChIInChI=1S/C25H34FN5O2/c1-17-15-31(19-5-12-29(13-6-19)16-25(26)8-10-27-11-9-25)21-4-3-20(18(2)23(17)21)30-14-7-22(32)28-24(30)33/h3-4,15,19,27H,5-14,16H2,1-2H3,(H,28,32,33)
InChIKeyMDFWNHAHGCEJBW-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.43
Rot. Bonds4

About 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione

1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176561926) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176561926
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC Name1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)c(C)c12
InChIInChI=1S/C25H34FN5O2/c1-17-15-31(19-5-12-29(13-6-19)16-25(26)8-10-27-11-9-25)21-4-3-20(18(2)23(17)21)30-14-7-22(32)28-24(30)33/h3-4,15,19,27H,5-14,16H2,1-2H3,(H,28,32,33)
InChIKeyMDFWNHAHGCEJBW-UHFFFAOYSA-N
XLogP3.43
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176563127
1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
CID 176561847
1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562820
1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
CID 176562739
tert-butyl 4-[[4-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562621
1-(5-methyl-1-piperidin-4-ylindol-4-yl)-1,3-diazinane-2,4-dione
CID 178074052
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 169195490
3-[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 171748459
tert-butyl 4-[[(3S)-3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]pyrrolidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562750
1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
CID 156720343
1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
CID 171406571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione (CID 176561926) is 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione is Cc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)c(C)c12.
What is the InChIKey of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is MDFWNHAHGCEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O2/c1-17-15-31(19-5-12-29(13-6-19)16-25(26)8-10-27-11-9-25)21-4-3-20(18(2)23(17)21)30-14-7-22(32)28-24(30)33/h3-4,15,19,27H,5-14,16H2,1-2H3,(H,28,32,33).
What are the key properties of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 455.58 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176561926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).