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

C20H29FN2O2 — CID 97375576

IUPAC(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C20H29FN2O2/c1-3-18-20(11-9-19(24)23(20)13-14-25-2)10-4-12-22(18)15-16-5-7-17(21)8-6-16/h5-8,18H,3-4,9-15H2,1-2H3/t18-,20-/m0/s1
InChIKeyHLKKPSKENTXJCE-ICSRJNTNSA-N
MW348.46 g/mol
LogP3.21
Rot. Bonds6

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

(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375576) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375576
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C20H29FN2O2/c1-3-18-20(11-9-19(24)23(20)13-14-25-2)10-4-12-22(18)15-16-5-7-17(21)8-6-16/h5-8,18H,3-4,9-15H2,1-2H3/t18-,20-/m0/s1
InChIKeyHLKKPSKENTXJCE-ICSRJNTNSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4069380
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CID 16811477
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24790641
1-(4-methylbenzyl)-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3237287
1-(2-Fluorobenzyl)-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24818968
(8aR)-2-[(4-fluorophenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 44302132
7-(4-Fluorobenzyl)-2-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 45242223
1-[2-(4-Fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 46041491
Cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 46067544
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363700
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363710
1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375576) is (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC.
What is the InChIKey of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is HLKKPSKENTXJCE-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-3-18-20(11-9-19(24)23(20)13-14-25-2)10-4-12-22(18)15-16-5-7-17(21)8-6-16/h5-8,18H,3-4,9-15H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 348.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).