(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one

C17H15Cl2NO — CID 58573791

IUPAC(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one
SMILESO=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-4-11(5-7-13)17-15(8-9-16(21)20-17)12-2-1-3-14(19)10-12/h1-7,10,15,17H,8-9H2,(H,20,21)/t15-,17-/m1/s1
InChIKeyKNSOTDNPGSDMLD-NVXWUHKLSA-N
MW320.22 g/mol
LogP4.73
Rot. Bonds2

About (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one (PubChem CID 58573791) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one
PubChem CID58573791
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one
SMILESO=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-4-11(5-7-13)17-15(8-9-16(21)20-17)12-2-1-3-14(19)10-12/h1-7,10,15,17H,8-9H2,(H,20,21)/t15-,17-/m1/s1
InChIKeyKNSOTDNPGSDMLD-NVXWUHKLSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one (CID 58573791) is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one is O=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one?
The InChIKey is KNSOTDNPGSDMLD-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-6-4-11(5-7-13)17-15(8-9-16(21)20-17)12-2-1-3-14(19)10-12/h1-7,10,15,17H,8-9H2,(H,20,21)/t15-,17-/m1/s1.
What are the key properties of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one?
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one has a molecular weight of 320.22 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 58573791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).