8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one

C45H52N6O2 — CID 70217411

IUPAC8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2.O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C23H27N3O.C22H25N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21;26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27);1-9,20H,10-16H2,(H,23,26)
InChIKeyYIIZPXDSBMYNFJ-UHFFFAOYSA-N
MW708.95 g/mol
LogP6.07
Rot. Bonds4

About 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one

8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 70217411) has the molecular formula C45H52N6O2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID70217411
Molecular FormulaC45H52N6O2
Molecular Weight708.95 g/mol
Exact Mass708.42
IUPAC Name8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2.O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C23H27N3O.C22H25N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21;26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27);1-9,20H,10-16H2,(H,23,26)
InChIKeyYIIZPXDSBMYNFJ-UHFFFAOYSA-N
XLogP6.07
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 70217411) is 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2.O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is YIIZPXDSBMYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.C22H25N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21;26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27);1-9,20H,10-16H2,(H,23,26).
What are the key properties of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 708.95 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 70217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).