(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one

C21H25NO2 — CID 162351709

IUPAC(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
SMILESCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)C(C)(C)NC2=O)cc1
InChIInChI=1S/C21H25NO2/c1-14-5-7-16(8-6-14)19-13-18(20(23)22-21(19,2)3)15-9-11-17(24-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyYQHLLKSEWVONCH-MOPGFXCFSA-N
MW323.44 g/mol
LogP4.17
Rot. Bonds3

About (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one

(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one (PubChem CID 162351709) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
PubChem CID162351709
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
SMILESCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)C(C)(C)NC2=O)cc1
InChIInChI=1S/C21H25NO2/c1-14-5-7-16(8-6-14)19-13-18(20(23)22-21(19,2)3)15-9-11-17(24-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyYQHLLKSEWVONCH-MOPGFXCFSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-9H-xanthene-9-carboxamide
CID 718106
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
4-(4-methoxy-2-methylphenyl)-N-(2-phenylethyl)butanamide
CID 4448752
3-(4-Propoxybenzyl)piperidine-2,6-dione
CID 5096405
3-[(4-Butoxyphenyl)methyl]piperidine-2,6-dione
CID 3125332
4-(4-Methoxyphenyl)piperidine-2,6-dione
CID 1915442
2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 845215
2-(4-methoxyphenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2105519
2-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 3405110

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one?
The IUPAC name of (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one (CID 162351709) is (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one.
What is the SMILES notation for (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one?
The canonical SMILES for (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one is COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)C(C)(C)NC2=O)cc1.
What is the InChIKey of (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one?
The InChIKey is YQHLLKSEWVONCH-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14-5-7-16(8-6-14)19-13-18(20(23)22-21(19,2)3)15-9-11-17(24-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one?
(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one is sourced from PubChem (CID 162351709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).