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

C24H32FN5O2 — CID 176561856

IUPAC1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C24H32FN5O2/c1-17-15-30(18-4-11-28(12-5-18)16-24(25)7-9-26-10-8-24)21-3-2-19(14-20(17)21)29-13-6-22(31)27-23(29)32/h2-3,14-15,18,26H,4-13,16H2,1H3,(H,27,31,32)
InChIKeyWHLSYKYHPLKMIT-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.12
Rot. Bonds4

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

1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176561856) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176561856
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C24H32FN5O2/c1-17-15-30(18-4-11-28(12-5-18)16-24(25)7-9-26-10-8-24)21-3-2-19(14-20(17)21)29-13-6-22(31)27-23(29)32/h2-3,14-15,18,26H,4-13,16H2,1H3,(H,27,31,32)
InChIKeyWHLSYKYHPLKMIT-UHFFFAOYSA-N
XLogP3.12
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.12
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-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
CID 176562739
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
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-[1-[1-[[4-fluoro-1-[4-[4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-2-yl]benzoyl]piperidin-4-yl]methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176563061
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-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
CID 176562721
1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176561743
1-(5-methyl-1-piperidin-4-ylindol-4-yl)-1,3-diazinane-2,4-dione
CID 178074052
tert-butyl 4-[[4-[3-cyclopropyl-5-(2,4-dioxo-1,3-diazinan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176563207
[4-[4,4-difluoro-1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]-3-methylphenyl]-piperidin-1-ylmethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176562807

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione (CID 176561856) is 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-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-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione is Cc1cn(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc12.
What is the InChIKey of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WHLSYKYHPLKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-17-15-30(18-4-11-28(12-5-18)16-24(25)7-9-26-10-8-24)21-3-2-19(14-20(17)21)29-13-6-22(31)27-23(29)32/h2-3,14-15,18,26H,4-13,16H2,1H3,(H,27,31,32).
What are the key properties of 1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 441.55 g/mol, XLogP of 3.12, 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-methylindol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176561856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).