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

C23H25Cl3N2O2 — CID 23029870

IUPAC3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N2O2/c24-19-1-4-21(5-2-19)28-14-17(15-30-23(28)29)13-27-9-7-16(8-10-27)11-18-12-20(25)3-6-22(18)26/h1-6,12,16-17H,7-11,13-15H2
InChIKeyUAFZNLBSMSGLMC-UHFFFAOYSA-N
MW467.82 g/mol
LogP6.17
Rot. Bonds5

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

3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 23029870) has the molecular formula C23H25Cl3N2O2 and a molecular weight of 467.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
PubChem CID23029870
Molecular FormulaC23H25Cl3N2O2
Molecular Weight467.82 g/mol
Exact Mass466.10
IUPAC Name3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N2O2/c24-19-1-4-21(5-2-19)28-14-17(15-30-23(28)29)13-27-9-7-16(8-10-27)11-18-12-20(25)3-6-22(18)26/h1-6,12,16-17H,7-11,13-15H2
InChIKeyUAFZNLBSMSGLMC-UHFFFAOYSA-N
XLogP6.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one (CID 23029870) is 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one is O=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is UAFZNLBSMSGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O2/c24-19-1-4-21(5-2-19)28-14-17(15-30-23(28)29)13-27-9-7-16(8-10-27)11-18-12-20(25)3-6-22(18)26/h1-6,12,16-17H,7-11,13-15H2.
What are the key properties of 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one?
3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 467.82 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 23029870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).