1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one

C36H49FN4O4 — CID 134209976

IUPAC1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C36H49FN4O4/c1-26(21-27-9-3-2-4-10-27)33(43)40-18-15-36(45,35(24-40)13-7-8-14-35)25-41-23-30(34(44)39-19-16-38-17-20-39)29(22-32(41)42)28-11-5-6-12-31(28)37/h5-6,11-12,22-23,26-27,38,45H,2-4,7-10,13-21,24-25H2,1H3/t26-,36-/m1/s1
InChIKeyVOGZFRIPDJHGII-SXZDHJFLSA-N
MW620.81 g/mol
LogP4.83
Rot. Bonds7

About 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one

1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 134209976) has the molecular formula C36H49FN4O4 and a molecular weight of 620.81 g/mol. Its IUPAC name is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID134209976
Molecular FormulaC36H49FN4O4
Molecular Weight620.81 g/mol
Exact Mass620.37
IUPAC Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C36H49FN4O4/c1-26(21-27-9-3-2-4-10-27)33(43)40-18-15-36(45,35(24-40)13-7-8-14-35)25-41-23-30(34(44)39-19-16-38-17-20-39)29(22-32(41)42)28-11-5-6-12-31(28)37/h5-6,11-12,22-23,26-27,38,45H,2-4,7-10,13-21,24-25H2,1H3/t26-,36-/m1/s1
InChIKeyVOGZFRIPDJHGII-SXZDHJFLSA-N
XLogP4.83
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.81
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one (CID 134209976) is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is VOGZFRIPDJHGII-SXZDHJFLSA-N. The full InChI is InChI=1S/C36H49FN4O4/c1-26(21-27-9-3-2-4-10-27)33(43)40-18-15-36(45,35(24-40)13-7-8-14-35)25-41-23-30(34(44)39-19-16-38-17-20-39)29(22-32(41)42)28-11-5-6-12-31(28)37/h5-6,11-12,22-23,26-27,38,45H,2-4,7-10,13-21,24-25H2,1H3/t26-,36-/m1/s1.
What are the key properties of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 620.81 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 134209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).