(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

C21H29BrN2O2 — CID 24758181

IUPAC(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2CCc1ccc(Br)cc1
InChIInChI=1S/C21H29BrN2O2/c22-17-8-6-16(7-9-17)10-12-23-15-19(25)14-21(23)11-13-24(20(21)26)18-4-2-1-3-5-18/h6-9,18-19,25H,1-5,10-15H2/t19-,21?/m1/s1
InChIKeyBOKYQBZIRIBHHC-YMBRHYMPSA-N
MW421.38 g/mol
LogP3.36
Rot. Bonds4

About (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one

(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24758181) has the molecular formula C21H29BrN2O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24758181
Molecular FormulaC21H29BrN2O2
Molecular Weight421.38 g/mol
Exact Mass420.14
IUPAC Name(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2CCc1ccc(Br)cc1
InChIInChI=1S/C21H29BrN2O2/c22-17-8-6-16(7-9-17)10-12-23-15-19(25)14-21(23)11-13-24(20(21)26)18-4-2-1-3-5-18/h6-9,18-19,25H,1-5,10-15H2/t19-,21?/m1/s1
InChIKeyBOKYQBZIRIBHHC-YMBRHYMPSA-N
XLogP3.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67356061
2-[(3R,4S)-4-(4-bromophenyl)-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903027
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one
CID 24964253
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
CID 56707867
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate
CID 25180548
5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
CID 55761211
5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
CID 55761330

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one (CID 24758181) is (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12C[C@@H](O)CN2CCc1ccc(Br)cc1.
What is the InChIKey of (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is BOKYQBZIRIBHHC-YMBRHYMPSA-N. The full InChI is InChI=1S/C21H29BrN2O2/c22-17-8-6-16(7-9-17)10-12-23-15-19(25)14-21(23)11-13-24(20(21)26)18-4-2-1-3-5-18/h6-9,18-19,25H,1-5,10-15H2/t19-,21?/m1/s1.
What are the key properties of (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one?
(3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 421.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-bromophenyl)ethyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24758181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).