(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

C23H27FN2O2 — CID 3234807

IUPAC(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C23H27FN2O2/c1-28-21-9-3-2-6-19(21)15-25-13-11-23(16-25)10-5-12-26(17-23)22(27)18-7-4-8-20(24)14-18/h2-4,6-9,14H,5,10-13,15-17H2,1H3/t23-/m0/s1
InChIKeyFVYBNRBRHFNZIG-QHCPKHFHSA-N
MW382.48 g/mol
LogP3.96
Rot. Bonds4

About (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234807) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234807
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C23H27FN2O2/c1-28-21-9-3-2-6-19(21)15-25-13-11-23(16-25)10-5-12-26(17-23)22(27)18-7-4-8-20(24)14-18/h2-4,6-9,14H,5,10-13,15-17H2,1H3/t23-/m0/s1
InChIKeyFVYBNRBRHFNZIG-QHCPKHFHSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234807) is (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is FVYBNRBRHFNZIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-28-21-9-3-2-6-19(21)15-25-13-11-23(16-25)10-5-12-26(17-23)22(27)18-7-4-8-20(24)14-18/h2-4,6-9,14H,5,10-13,15-17H2,1H3/t23-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).