12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C28H28FN5O2 — CID 118543240

IUPAC12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFC1CCN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6c5C=CC6)nc4c3c2)CC1
InChIInChI=1S/C28H28FN5O2/c29-20-7-9-33(10-8-20)17-18-15-23-24-25(36-28(23)30-16-18)27(34-11-13-35-14-12-34)32-26(31-24)22-6-2-4-19-3-1-5-21(19)22/h1-2,4-6,15-16,20H,3,7-14,17H2
InChIKeyBQRGKUSBUAZDGV-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.78
Rot. Bonds4

About 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118543240) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118543240
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFC1CCN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6c5C=CC6)nc4c3c2)CC1
InChIInChI=1S/C28H28FN5O2/c29-20-7-9-33(10-8-20)17-18-15-23-24-25(36-28(23)30-16-18)27(34-11-13-35-14-12-34)32-26(31-24)22-6-2-4-19-3-1-5-21(19)22/h1-2,4-6,15-16,20H,3,7-14,17H2
InChIKeyBQRGKUSBUAZDGV-UHFFFAOYSA-N
XLogP4.78
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118543240) is 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is FC1CCN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6c5C=CC6)nc4c3c2)CC1.
What is the InChIKey of 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BQRGKUSBUAZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c29-20-7-9-33(10-8-20)17-18-15-23-24-25(36-28(23)30-16-18)27(34-11-13-35-14-12-34)32-26(31-24)22-6-2-4-19-3-1-5-21(19)22/h1-2,4-6,15-16,20H,3,7-14,17H2.
What are the key properties of 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 485.56 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118543240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).