(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one

C20H23NO3 — CID 7021020

IUPAC(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
SMILESCOc1ccc(C2N[C@H](c3ccc(OC)cc3)CC(=O)[C@@H]2C)cc1
InChIInChI=1S/C20H23NO3/c1-13-19(22)12-18(14-4-8-16(23-2)9-5-14)21-20(13)15-6-10-17(24-3)11-7-15/h4-11,13,18,20-21H,12H2,1-3H3/t13-,18-,20?/m0/s1
InChIKeyLUPLWIXSMMGDLK-TWRQCCBLSA-N
MW325.41 g/mol
LogP3.68
Rot. Bonds4

About (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one

(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one (PubChem CID 7021020) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
PubChem CID7021020
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
SMILESCOc1ccc(C2N[C@H](c3ccc(OC)cc3)CC(=O)[C@@H]2C)cc1
InChIInChI=1S/C20H23NO3/c1-13-19(22)12-18(14-4-8-16(23-2)9-5-14)21-20(13)15-6-10-17(24-3)11-7-15/h4-11,13,18,20-21H,12H2,1-3H3/t13-,18-,20?/m0/s1
InChIKeyLUPLWIXSMMGDLK-TWRQCCBLSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
CID 2870022
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
2,6-bis(4-bromophenyl)-3-propan-2-ylpiperidin-4-one
CID 4689702
3-(4-methoxyphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66225287
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
CID 6587283
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one?
The IUPAC name of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one (CID 7021020) is (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one.
What is the SMILES notation for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one?
The canonical SMILES for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one is COc1ccc(C2N[C@H](c3ccc(OC)cc3)CC(=O)[C@@H]2C)cc1.
What is the InChIKey of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one?
The InChIKey is LUPLWIXSMMGDLK-TWRQCCBLSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-19(22)12-18(14-4-8-16(23-2)9-5-14)21-20(13)15-6-10-17(24-3)11-7-15/h4-11,13,18,20-21H,12H2,1-3H3/t13-,18-,20?/m0/s1.
What are the key properties of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one?
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 7021020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).