(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one

C24H31NO2 — CID 162351732

IUPAC(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one
SMILESCOc1ccc([C@H]2C[C@@H](c3ccc(C(C)(C)C)cc3)C(C)(C)NC2=O)cc1
InChIInChI=1S/C24H31NO2/c1-23(2,3)18-11-7-17(8-12-18)21-15-20(22(26)25-24(21,4)5)16-9-13-19(27-6)14-10-16/h7-14,20-21H,15H2,1-6H3,(H,25,26)/t20-,21+/m1/s1
InChIKeyGAKKSUGZZAPESY-RTWAWAEBSA-N
MW365.52 g/mol
LogP5.16
Rot. Bonds3

About (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one

(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one (PubChem CID 162351732) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one
PubChem CID162351732
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one
SMILESCOc1ccc([C@H]2C[C@@H](c3ccc(C(C)(C)C)cc3)C(C)(C)NC2=O)cc1
InChIInChI=1S/C24H31NO2/c1-23(2,3)18-11-7-17(8-12-18)21-15-20(22(26)25-24(21,4)5)16-9-13-19(27-6)14-10-16/h7-14,20-21H,15H2,1-6H3,(H,25,26)/t20-,21+/m1/s1
InChIKeyGAKKSUGZZAPESY-RTWAWAEBSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
CID 162351709
(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 162351735
(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
CID 162351718
4-[(3R,5S)-5-(4-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
CID 12621391
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
CID 170079677
(8R)-8-(4-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 7332817
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
5-(4-methoxyphenyl)piperidine-2,4-dione
CID 139466443
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
N-ethyl-3-(4-methoxyphenyl)-2,2-dimethylcyclobutan-1-amine
CID 81418033

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one?
The IUPAC name of (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one (CID 162351732) is (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one.
What is the SMILES notation for (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one?
The canonical SMILES for (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one is COc1ccc([C@H]2C[C@@H](c3ccc(C(C)(C)C)cc3)C(C)(C)NC2=O)cc1.
What is the InChIKey of (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one?
The InChIKey is GAKKSUGZZAPESY-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H31NO2/c1-23(2,3)18-11-7-17(8-12-18)21-15-20(22(26)25-24(21,4)5)16-9-13-19(27-6)14-10-16/h7-14,20-21H,15H2,1-6H3,(H,25,26)/t20-,21+/m1/s1.
What are the key properties of (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one?
(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one has a molecular weight of 365.52 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one is sourced from PubChem (CID 162351732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).