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

C23H29F2N5O2 — CID 176561847

IUPAC1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3c(ccn3C3CCN(CC4(F)CCNCC4)CC3)c2F)C(=O)N1
InChIInChI=1S/C23H29F2N5O2/c24-21-17-5-13-29(18(17)1-2-19(21)30-14-6-20(31)27-22(30)32)16-3-11-28(12-4-16)15-23(25)7-9-26-10-8-23/h1-2,5,13,16,26H,3-4,6-12,14-15H2,(H,27,31,32)
InChIKeyIIVGMYUALOEMJR-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.96
Rot. Bonds4

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

1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176561847) has the molecular formula C23H29F2N5O2 and a molecular weight of 445.51 g/mol. Its IUPAC name is 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176561847
Molecular FormulaC23H29F2N5O2
Molecular Weight445.51 g/mol
Exact Mass445.23
IUPAC Name1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3c(ccn3C3CCN(CC4(F)CCNCC4)CC3)c2F)C(=O)N1
InChIInChI=1S/C23H29F2N5O2/c24-21-17-5-13-29(18(17)1-2-19(21)30-14-6-20(31)27-22(30)32)16-3-11-28(12-4-16)15-23(25)7-9-26-10-8-23/h1-2,5,13,16,26H,3-4,6-12,14-15H2,(H,27,31,32)
InChIKeyIIVGMYUALOEMJR-UHFFFAOYSA-N
XLogP2.96
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.96
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]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561926
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562820
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-(5-methyl-1-piperidin-4-ylindol-4-yl)-1,3-diazinane-2,4-dione
CID 178074052
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-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4,6-difluoroindol-1-yl]piperidine-1-carboxylate
CID 176562903
1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
CID 156720343
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
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
CID 177065367
3-[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 171748459
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-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione (CID 176561847) is 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc3c(ccn3C3CCN(CC4(F)CCNCC4)CC3)c2F)C(=O)N1.
What is the InChIKey of 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IIVGMYUALOEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5O2/c24-21-17-5-13-29(18(17)1-2-19(21)30-14-6-20(31)27-22(30)32)16-3-11-28(12-4-16)15-23(25)7-9-26-10-8-23/h1-2,5,13,16,26H,3-4,6-12,14-15H2,(H,27,31,32).
What are the key properties of 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione?
1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 445.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).