5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one

C23H32BrClN2O2 — CID 23030131

IUPAC5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
SMILESO=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1C1CCCCC1
InChIInChI=1S/C23H32BrClN2O2/c24-22-7-6-20(25)13-19(22)12-17-8-10-26(11-9-17)14-18-15-27(23(28)29-16-18)21-4-2-1-3-5-21/h6-7,13,17-18,21H,1-5,8-12,14-16H2
InChIKeyFYZZAWZUQQFWIU-UHFFFAOYSA-N
MW483.88 g/mol
LogP5.76
Rot. Bonds5

About 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one

5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one (PubChem CID 23030131) has the molecular formula C23H32BrClN2O2 and a molecular weight of 483.88 g/mol. Its IUPAC name is 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
PubChem CID23030131
Molecular FormulaC23H32BrClN2O2
Molecular Weight483.88 g/mol
Exact Mass482.13
IUPAC Name5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
SMILESO=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1C1CCCCC1
InChIInChI=1S/C23H32BrClN2O2/c24-22-7-6-20(25)13-19(22)12-17-8-10-26(11-9-17)14-18-15-27(23(28)29-16-18)21-4-2-1-3-5-21/h6-7,13,17-18,21H,1-5,8-12,14-16H2
InChIKeyFYZZAWZUQQFWIU-UHFFFAOYSA-N
XLogP5.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.88
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one with MolForge

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Related Compounds

5-[[4-[(2-Bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
CID 23028997
N-[4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]cyclohexyl]-N-ethyl-2-methoxyacetamide
CID 23028984
3-Cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23028986
1-[4-[2-[4-[(2-Bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 23029051
1-[4-[3-[4-[(2-Bromo-5-chlorophenyl)methyl]piperidin-1-yl]propyl]piperidin-1-yl]ethanone
CID 23029057
5-[2-[4-[(2-Bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one
CID 23029103
3-Benzyl-5-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
CID 23029135
5-[[4-[(2-Bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazolidin-2-one
CID 23029137
N-[4-[3-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 23029180
[4-[3-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]propyl]cyclohexyl] N,N-dimethylcarbamate
CID 23029181
4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]-N-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 23029224
5-[[4-[(2-Bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazinan-2-one
CID 23029226

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one?
The IUPAC name of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one (CID 23030131) is 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one is O=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1C1CCCCC1.
What is the InChIKey of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one?
The InChIKey is FYZZAWZUQQFWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrClN2O2/c24-22-7-6-20(25)13-19(22)12-17-8-10-26(11-9-17)14-18-15-27(23(28)29-16-18)21-4-2-1-3-5-21/h6-7,13,17-18,21H,1-5,8-12,14-16H2.
What are the key properties of 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one?
5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one has a molecular weight of 483.88 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one is sourced from PubChem (CID 23030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).