1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one

C24H32FN3O3 — CID 45189598

IUPAC1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)CC1=O
InChIInChI=1S/C24H32FN3O3/c1-17(2)14-27-15-19(13-22(27)30)23(31)26-11-9-24(10-12-26)8-7-21(29)28(24)16-18-5-3-4-6-20(18)25/h3-6,17,19H,7-16H2,1-2H3
InChIKeyVINKLWIDDRWVGV-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.81
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one

1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 45189598) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID45189598
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)CC1=O
InChIInChI=1S/C24H32FN3O3/c1-17(2)14-27-15-19(13-22(27)30)23(31)26-11-9-24(10-12-26)8-7-21(29)28(24)16-18-5-3-4-6-20(18)25/h3-6,17,19H,7-16H2,1-2H3
InChIKeyVINKLWIDDRWVGV-UHFFFAOYSA-N
XLogP2.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077264
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N,N',N'-trimethylsuccinamide
CID 23723826
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398
(3R,5S)-1-methyl-5-(4-methylphenyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565156
(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565158
(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565208
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-4-methylpentyl)-N-isopropylacetamide
CID 49862378
(3aR,7R,7aS)-2-benzyl-7-(pyrrolidine-1-carbonyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 127050628

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (CID 45189598) is 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is CC(C)CN1CC(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)CC1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VINKLWIDDRWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-17(2)14-27-15-19(13-22(27)30)23(31)26-11-9-24(10-12-26)8-7-21(29)28(24)16-18-5-3-4-6-20(18)25/h3-6,17,19H,7-16H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 429.54 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-8-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 45189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).