(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C23H27FN2O — CID 42510508

IUPAC(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1
InChIInChI=1S/C23H27FN2O/c1-18-7-2-3-8-19(18)15-25-14-12-23(17-25)11-6-13-26(22(23)27)16-20-9-4-5-10-21(20)24/h2-5,7-10H,6,11-17H2,1H3/t23-/m0/s1
InChIKeyFJCDIKOFTFWGSA-QHCPKHFHSA-N
MW366.48 g/mol
LogP4.15
Rot. Bonds4

About (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42510508) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42510508
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1
InChIInChI=1S/C23H27FN2O/c1-18-7-2-3-8-19(18)15-25-14-12-23(17-25)11-6-13-26(22(23)27)16-20-9-4-5-10-21(20)24/h2-5,7-10H,6,11-17H2,1H3/t23-/m0/s1
InChIKeyFJCDIKOFTFWGSA-QHCPKHFHSA-N
XLogP4.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45187458
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392250
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392252
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426622
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196
2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
CID 126451065
2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119065189
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-imidazole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45175530

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42510508) is (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1.
What is the InChIKey of (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FJCDIKOFTFWGSA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-18-7-2-3-8-19(18)15-25-14-12-23(17-25)11-6-13-26(22(23)27)16-20-9-4-5-10-21(20)24/h2-5,7-10H,6,11-17H2,1H3/t23-/m0/s1.
What are the key properties of (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 366.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42510508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).