1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione

C24H32FN5O2 — CID 176562739

IUPAC1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
SMILESCn1cc(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C24H32FN5O2/c1-28-15-20(17-4-11-29(12-5-17)16-24(25)7-9-26-10-8-24)19-3-2-18(14-21(19)28)30-13-6-22(31)27-23(30)32/h2-3,14-15,17,26H,4-13,16H2,1H3,(H,27,31,32)
InChIKeyFRTIYCYMTYWYPD-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.90
Rot. Bonds4

About 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione

1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 176562739) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
PubChem CID176562739
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
SMILESCn1cc(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C24H32FN5O2/c1-28-15-20(17-4-11-29(12-5-17)16-24(25)7-9-26-10-8-24)19-3-2-18(14-21(19)28)30-13-6-22(31)27-23(30)32/h2-3,14-15,17,26H,4-13,16H2,1H3,(H,27,31,32)
InChIKeyFRTIYCYMTYWYPD-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione (CID 176562739) is 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione is Cn1cc(C2CCN(CC3(F)CCNCC3)CC2)c2ccc(N3CCC(=O)NC3=O)cc21.
What is the InChIKey of 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FRTIYCYMTYWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-28-15-20(17-4-11-29(12-5-17)16-24(25)7-9-26-10-8-24)19-3-2-18(14-21(19)28)30-13-6-22(31)27-23(30)32/h2-3,14-15,17,26H,4-13,16H2,1H3,(H,27,31,32).
What are the key properties of 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione?
1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 441.55 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176562739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).