3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H32FN3O4 — CID 134810893

IUPAC3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(C(=O)CN1CCOCC1)CC2
InChIInChI=1S/C27H32FN3O4/c1-26(22-8-3-2-4-9-22)27(35-25(33)31(26)19-21-7-5-6-10-23(21)28)11-13-30(14-12-27)24(32)20-29-15-17-34-18-16-29/h2-10H,11-20H2,1H3
InChIKeyWSZLUSVOUYSACH-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.39
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810893) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810893
Molecular FormulaC27H32FN3O4
Molecular Weight481.57 g/mol
Exact Mass481.24
IUPAC Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(C(=O)CN1CCOCC1)CC2
InChIInChI=1S/C27H32FN3O4/c1-26(22-8-3-2-4-9-22)27(35-25(33)31(26)19-21-7-5-6-10-23(21)28)11-13-30(14-12-27)24(32)20-29-15-17-34-18-16-29/h2-10H,11-20H2,1H3
InChIKeyWSZLUSVOUYSACH-UHFFFAOYSA-N
XLogP3.39
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810893) is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(c2ccccc2)N(Cc2ccccc2F)C(=O)OC12CCN(C(=O)CN1CCOCC1)CC2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WSZLUSVOUYSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4/c1-26(22-8-3-2-4-9-22)27(35-25(33)31(26)19-21-7-5-6-10-23(21)28)11-13-30(14-12-27)24(32)20-29-15-17-34-18-16-29/h2-10H,11-20H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 481.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).