4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H31FN2O3 — CID 22386708

IUPAC4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)Oc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(2)30-22-10-6-20(7-11-22)17-28-23(16-19-4-8-21(26)9-5-19)25(31-24(28)29)12-14-27(3)15-13-25/h4-11,18,23H,12-17H2,1-3H3
InChIKeyBWTPBWQYMSPSLT-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.64
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 22386708) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID22386708
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)Oc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(2)30-22-10-6-20(7-11-22)17-28-23(16-19-4-8-21(26)9-5-19)25(31-24(28)29)12-14-27(3)15-13-25/h4-11,18,23H,12-17H2,1-3H3
InChIKeyBWTPBWQYMSPSLT-UHFFFAOYSA-N
XLogP4.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 22386708) is 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)Oc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BWTPBWQYMSPSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-18(2)30-22-10-6-20(7-11-22)17-28-23(16-19-4-8-21(26)9-5-19)25(31-24(28)29)12-14-27(3)15-13-25/h4-11,18,23H,12-17H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 426.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-8-methyl-3-[(4-propan-2-yloxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 22386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).