(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one

C18H25FN2O — CID 97375555

IUPAC(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C18H25FN2O/c1-3-16-18(11-9-17(22)20(18)2)10-4-12-21(16)13-14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyUMXWTTNOGRNVSP-WMZOPIPTSA-N
MW304.41 g/mol
LogP3.19
Rot. Bonds3

About (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375555) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375555
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C18H25FN2O/c1-3-16-18(11-9-17(22)20(18)2)10-4-12-21(16)13-14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyUMXWTTNOGRNVSP-WMZOPIPTSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9821780
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CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
1-Cycloheptyl-3-(2-fluorophenyl)-4-isopropylpiperazine-2,5-dione
CID 3244804
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)(4-(1-cyclohexyl-2-(diethylamino)ethyl)piperazin-1-yl)methanone
CID 10098568
1-(4-Benzyl-4-ethylpiperazin-4-ium-1-yl)hexadecan-1-one bromide
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1-(4-Benzyl-4-methylpiperazin-4-ium-1-yl)hexadecan-1-one bromide
CID 24944906
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one (CID 97375555) is (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is UMXWTTNOGRNVSP-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-3-16-18(11-9-17(22)20(18)2)10-4-12-21(16)13-14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 304.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).