(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one

C27H29NO4 — CID 11235798

IUPAC(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H](OCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO4/c1-30-23-12-8-20(9-13-23)18-28-26(29)17-16-25(32-19-21-6-4-3-5-7-21)27(28)22-10-14-24(31-2)15-11-22/h3-15,25,27H,16-19H2,1-2H3/t25-,27+/m0/s1
InChIKeyPEXQQHWUDOWARO-AHKZPQOWSA-N
MW431.53 g/mol
LogP5.15
Rot. Bonds8

About (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one

(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one (PubChem CID 11235798) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
PubChem CID11235798
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
SMILESCOc1ccc(CN2C(=O)CC[C@H](OCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO4/c1-30-23-12-8-20(9-13-23)18-28-26(29)17-16-25(32-19-21-6-4-3-5-7-21)27(28)22-10-14-24(31-2)15-11-22/h3-15,25,27H,16-19H2,1-2H3/t25-,27+/m0/s1
InChIKeyPEXQQHWUDOWARO-AHKZPQOWSA-N
XLogP5.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
1-[(2R,3S)-2-(4-methoxyphenyl)-3-phenylmethoxypiperidin-1-yl]ethanone
CID 102574971
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 172541746
1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 178065868
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
CID 141068643

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one (CID 11235798) is (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one is COc1ccc(CN2C(=O)CC[C@H](OCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one?
The InChIKey is PEXQQHWUDOWARO-AHKZPQOWSA-N. The full InChI is InChI=1S/C27H29NO4/c1-30-23-12-8-20(9-13-23)18-28-26(29)17-16-25(32-19-21-6-4-3-5-7-21)27(28)22-10-14-24(31-2)15-11-22/h3-15,25,27H,16-19H2,1-2H3/t25-,27+/m0/s1.
What are the key properties of (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one?
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one has a molecular weight of 431.53 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 11235798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).