3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide

C24H30N2O5 — CID 108935442

IUPAC3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(CC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H30N2O5/c1-29-20-6-4-5-18(13-20)14-23(27)26-11-9-17(10-12-26)16-25-24(28)19-7-8-21(30-2)22(15-19)31-3/h4-8,13,15,17H,9-12,14,16H2,1-3H3,(H,25,28)
InChIKeyXCCGNMYFCYDWQA-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.92
Rot. Bonds8

About 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide

3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide (PubChem CID 108935442) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
PubChem CID108935442
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(CC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H30N2O5/c1-29-20-6-4-5-18(13-20)14-23(27)26-11-9-17(10-12-26)16-25-24(28)19-7-8-21(30-2)22(15-19)31-3/h4-8,13,15,17H,9-12,14,16H2,1-3H3,(H,25,28)
InChIKeyXCCGNMYFCYDWQA-UHFFFAOYSA-N
XLogP2.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935286
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935464
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide (CID 108935442) is 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide is COc1cccc(CC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is XCCGNMYFCYDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-20-6-4-5-18(13-20)14-23(27)26-11-9-17(10-12-26)16-25-24(28)19-7-8-21(30-2)22(15-19)31-3/h4-8,13,15,17H,9-12,14,16H2,1-3H3,(H,25,28).
What are the key properties of 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide?
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 108935442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).