(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

C23H29NO5 — CID 26393620

IUPAC(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)c1
InChIInChI=1S/C23H29NO5/c1-26-19-9-5-7-16(13-19)21(25)17-8-6-12-24(14-17)15-18-10-11-20(27-2)23(29-4)22(18)28-3/h5,7,9-11,13,17H,6,8,12,14-15H2,1-4H3/t17-/m1/s1
InChIKeyMEMSFACSOBVKIP-QGZVFWFLSA-N
MW399.49 g/mol
LogP3.82
Rot. Bonds8

About (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 26393620) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID26393620
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)c1
InChIInChI=1S/C23H29NO5/c1-26-19-9-5-7-16(13-19)21(25)17-8-6-12-24(14-17)15-18-10-11-20(27-2)23(29-4)22(18)28-3/h5,7,9-11,13,17H,6,8,12,14-15H2,1-4H3/t17-/m1/s1
InChIKeyMEMSFACSOBVKIP-QGZVFWFLSA-N
XLogP3.82
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26324635
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (CID 26393620) is (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is COc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is MEMSFACSOBVKIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29NO5/c1-26-19-9-5-7-16(13-19)21(25)17-8-6-12-24(14-17)15-18-10-11-20(27-2)23(29-4)22(18)28-3/h5,7,9-11,13,17H,6,8,12,14-15H2,1-4H3/t17-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 399.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 26393620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).