5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C27H30Cl2N2O4 — CID 89481147

IUPAC5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)C(C)(CCc1ccc(Cl)cc1)C1NCC(CC2OC(=O)NC2=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C27H30Cl2N2O4/c1-16(32)27(2,11-10-17-6-8-20(28)9-7-17)24-22(19-4-3-5-21(29)14-19)12-18(15-30-24)13-23-25(33)31-26(34)35-23/h3-9,14,18,22-24,30H,10-13,15H2,1-2H3,(H,31,33,34)
InChIKeyHXRBNTTWKKJRTK-UHFFFAOYSA-N
MW517.45 g/mol
LogP5.31
Rot. Bonds8

About 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 89481147) has the molecular formula C27H30Cl2N2O4 and a molecular weight of 517.45 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID89481147
Molecular FormulaC27H30Cl2N2O4
Molecular Weight517.45 g/mol
Exact Mass516.16
IUPAC Name5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)C(C)(CCc1ccc(Cl)cc1)C1NCC(CC2OC(=O)NC2=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C27H30Cl2N2O4/c1-16(32)27(2,11-10-17-6-8-20(28)9-7-17)24-22(19-4-3-5-21(29)14-19)12-18(15-30-24)13-23-25(33)31-26(34)35-23/h3-9,14,18,22-24,30H,10-13,15H2,1-2H3,(H,31,33,34)
InChIKeyHXRBNTTWKKJRTK-UHFFFAOYSA-N
XLogP5.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 89481147) is 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is CC(=O)C(C)(CCc1ccc(Cl)cc1)C1NCC(CC2OC(=O)NC2=O)CC1c1cccc(Cl)c1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HXRBNTTWKKJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N2O4/c1-16(32)27(2,11-10-17-6-8-20(28)9-7-17)24-22(19-4-3-5-21(29)14-19)12-18(15-30-24)13-23-25(33)31-26(34)35-23/h3-9,14,18,22-24,30H,10-13,15H2,1-2H3,(H,31,33,34).
What are the key properties of 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 517.45 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 89481147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).