(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

C25H33NO5 — CID 42567289

IUPAC(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC
InChIInChI=1S/C25H33NO5/c1-16-10-20(11-17(2)24(16)30-5)23(27)19-8-7-9-26(15-19)14-18-12-21(28-3)25(31-6)22(13-18)29-4/h10-13,19H,7-9,14-15H2,1-6H3/t19-/m1/s1
InChIKeyCCGKQFCYXOUTRX-LJQANCHMSA-N
MW427.54 g/mol
LogP4.43
Rot. Bonds8

About (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 42567289) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID42567289
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC
InChIInChI=1S/C25H33NO5/c1-16-10-20(11-17(2)24(16)30-5)23(27)19-8-7-9-26(15-19)14-18-12-21(28-3)25(31-6)22(13-18)29-4/h10-13,19H,7-9,14-15H2,1-6H3/t19-/m1/s1
InChIKeyCCGKQFCYXOUTRX-LJQANCHMSA-N
XLogP4.43
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 45207136
1-[4-[[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42286949
[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45225604
2-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 95556565
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 26399109
[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45245584
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (CID 42567289) is (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is COc1cc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is CCGKQFCYXOUTRX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33NO5/c1-16-10-20(11-17(2)24(16)30-5)23(27)19-8-7-9-26(15-19)14-18-12-21(28-3)25(31-6)22(13-18)29-4/h10-13,19H,7-9,14-15H2,1-6H3/t19-/m1/s1.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 427.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 42567289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).