8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C27H29N3O — CID 10158555

IUPAC8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H29N3O/c1-28-21-30(24-15-9-4-10-16-24)27(26(28)31)17-19-29(20-18-27)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3
InChIKeyKXTDPQYMFXDMPR-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.55
Rot. Bonds4

About 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10158555) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10158555
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H29N3O/c1-28-21-30(24-15-9-4-10-16-24)27(26(28)31)17-19-29(20-18-27)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3
InChIKeyKXTDPQYMFXDMPR-UHFFFAOYSA-N
XLogP4.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10158555) is 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KXTDPQYMFXDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-28-21-30(24-15-9-4-10-16-24)27(26(28)31)17-19-29(20-18-27)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3.
What are the key properties of 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 411.55 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10158555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).