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

C28H34FN3O3 — CID 134805603

IUPAC3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)OC(=O)N(Cc2ccccc2F)C3(C)c2ccccc2)CC1
InChIInChI=1S/C28H34FN3O3/c1-27(23-9-4-3-5-10-23)28(35-26(34)32(27)20-22-8-6-7-11-24(22)29)14-18-31(19-15-28)25(33)21-12-16-30(2)17-13-21/h3-11,21H,12-20H2,1-2H3
InChIKeyJHXRJUYGQAYPLZ-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.40
Rot. Bonds4

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

3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134805603) has the molecular formula C28H34FN3O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134805603
Molecular FormulaC28H34FN3O3
Molecular Weight479.60 g/mol
Exact Mass479.26
IUPAC Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)OC(=O)N(Cc2ccccc2F)C3(C)c2ccccc2)CC1
InChIInChI=1S/C28H34FN3O3/c1-27(23-9-4-3-5-10-23)28(35-26(34)32(27)20-22-8-6-7-11-24(22)29)14-18-31(19-15-28)25(33)21-12-16-30(2)17-13-21/h3-11,21H,12-20H2,1-2H3
InChIKeyJHXRJUYGQAYPLZ-UHFFFAOYSA-N
XLogP4.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134805603) is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-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-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CCC(C(=O)N2CCC3(CC2)OC(=O)N(Cc2ccccc2F)C3(C)c2ccccc2)CC1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JHXRJUYGQAYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3/c1-27(23-9-4-3-5-10-23)28(35-26(34)32(27)20-22-8-6-7-11-24(22)29)14-18-31(19-15-28)25(33)21-12-16-30(2)17-13-21/h3-11,21H,12-20H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 479.60 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(1-methylpiperidine-4-carbonyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134805603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).