1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one

C20H28N2O4S — CID 135104370

IUPAC1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1
InChIInChI=1S/C20H28N2O4S/c23-18-5-3-11-20(18)12-4-13-21(15-20)27(25,26)17-9-7-16(8-10-17)22-14-2-1-6-19(22)24/h7-10,18,23H,1-6,11-15H2/t18-,20-/m1/s1
InChIKeyDEAPKEUKOMWWHA-UYAOXDASSA-N
MW392.52 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one

1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one (PubChem CID 135104370) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one
PubChem CID135104370
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1
InChIInChI=1S/C20H28N2O4S/c23-18-5-3-11-20(18)12-4-13-21(15-20)27(25,26)17-9-7-16(8-10-17)22-14-2-1-6-19(22)24/h7-10,18,23H,1-6,11-15H2/t18-,20-/m1/s1
InChIKeyDEAPKEUKOMWWHA-UYAOXDASSA-N
XLogP2.52
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one with MolForge

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Related Compounds

(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41062070
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 29105012
methyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110818526
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 46966806
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
1-[4-[[(1R,2R,4S)-2-ethyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]sulfonyl]phenyl]piperidin-2-one
CID 146039735
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-5-one
CID 110727957
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one (CID 135104370) is 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1.
What is the InChIKey of 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one?
The InChIKey is DEAPKEUKOMWWHA-UYAOXDASSA-N. The full InChI is InChI=1S/C20H28N2O4S/c23-18-5-3-11-20(18)12-4-13-21(15-20)27(25,26)17-9-7-16(8-10-17)22-14-2-1-6-19(22)24/h7-10,18,23H,1-6,11-15H2/t18-,20-/m1/s1.
What are the key properties of 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one?
1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one has a molecular weight of 392.52 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 135104370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).