(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one

C23H29NO5 — CID 7373110

IUPAC(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCOc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3OC)[C@H](C)C(=O)[C@H]2C)c(OC)c1
InChIInChI=1S/C23H29NO5/c1-13-21(17-9-7-15(26-3)11-19(17)28-5)24-22(14(2)23(13)25)18-10-8-16(27-4)12-20(18)29-6/h7-14,21-22,24H,1-6H3/t13-,14-,21-,22+/m0/s1
InChIKeyCDLFHAJPNMKGLG-GKHNXXNSSA-N
MW399.49 g/mol
LogP3.95
Rot. Bonds6

About (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one

(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one (PubChem CID 7373110) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
PubChem CID7373110
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCOc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3OC)[C@H](C)C(=O)[C@H]2C)c(OC)c1
InChIInChI=1S/C23H29NO5/c1-13-21(17-9-7-15(26-3)11-19(17)28-5)24-22(14(2)23(13)25)18-10-8-16(27-4)12-20(18)29-6/h7-14,21-22,24H,1-6H3/t13-,14-,21-,22+/m0/s1
InChIKeyCDLFHAJPNMKGLG-GKHNXXNSSA-N
XLogP3.95
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one with MolForge

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Related Compounds

5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
CID 64541230
(3S,5S)-5-(2,4-dimethoxyphenyl)-3-methylthiomorpholin-2-one
CID 66748791
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one
CID 56637248
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-2H-imidazole
CID 173031658
(1R,3S,3aR,6aR)-1-(2,4-dimethoxyphenyl)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 100804690
7-(2,4-dimethoxyphenyl)-1,4-diazepan-5-one
CID 82297415
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 155561723
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one?
The IUPAC name of (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one (CID 7373110) is (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one?
The canonical SMILES for (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one is COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3OC)[C@H](C)C(=O)[C@H]2C)c(OC)c1.
What is the InChIKey of (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one?
The InChIKey is CDLFHAJPNMKGLG-GKHNXXNSSA-N. The full InChI is InChI=1S/C23H29NO5/c1-13-21(17-9-7-15(26-3)11-19(17)28-5)24-22(14(2)23(13)25)18-10-8-16(27-4)12-20(18)29-6/h7-14,21-22,24H,1-6H3/t13-,14-,21-,22+/m0/s1.
What are the key properties of (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one?
(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one has a molecular weight of 399.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 7373110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).