8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H27N3O3 — CID 134810824

IUPAC8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2cccnc2)C(=O)OC12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C27H27N3O3/c1-26(23-12-6-3-7-13-23)27(33-25(32)30(26)20-21-9-8-16-28-19-21)14-17-29(18-15-27)24(31)22-10-4-2-5-11-22/h2-13,16,19H,14-15,17-18,20H2,1H3
InChIKeyVYMASMLLSCLVOA-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.62
Rot. Bonds4

About 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810824) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810824
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2cccnc2)C(=O)OC12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C27H27N3O3/c1-26(23-12-6-3-7-13-23)27(33-25(32)30(26)20-21-9-8-16-28-19-21)14-17-29(18-15-27)24(31)22-10-4-2-5-11-22/h2-13,16,19H,14-15,17-18,20H2,1H3
InChIKeyVYMASMLLSCLVOA-UHFFFAOYSA-N
XLogP4.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810824) is 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(c2ccccc2)N(Cc2cccnc2)C(=O)OC12CCN(C(=O)c1ccccc1)CC2.
What is the InChIKey of 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VYMASMLLSCLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-26(23-12-6-3-7-13-23)27(33-25(32)30(26)20-21-9-8-16-28-19-21)14-17-29(18-15-27)24(31)22-10-4-2-5-11-22/h2-13,16,19H,14-15,17-18,20H2,1H3.
What are the key properties of 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 441.53 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).