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

C29H25NO — CID 13033304

IUPAC(2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H/t25-,26+,27-,28+
InChIKeyCRLQJTSACHTAGF-KMKVIZFGSA-N
MW403.53 g/mol
LogP6.21
Rot. Bonds4

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

(2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one (PubChem CID 13033304) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one
PubChem CID13033304
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC Name(2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H/t25-,26+,27-,28+
InChIKeyCRLQJTSACHTAGF-KMKVIZFGSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one?
The IUPAC name of (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one (CID 13033304) is (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one?
The canonical SMILES for (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one is O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one?
The InChIKey is CRLQJTSACHTAGF-KMKVIZFGSA-N. The full InChI is InChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H/t25-,26+,27-,28+.
What are the key properties of (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one?
(2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one has a molecular weight of 403.53 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2,3,5,6-tetraphenylpiperidin-4-one is sourced from PubChem (CID 13033304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).