3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide

C23H28N2O4 — CID 49360462

IUPAC3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-28-20-11-9-17(15-21(20)29-2)10-12-22(26)24-19-7-5-6-18(14-19)16-25-13-4-3-8-23(25)27/h5-7,9,11,14-15H,3-4,8,10,12-13,16H2,1-2H3,(H,24,26)
InChIKeyGVEQZURFDLGTAX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.79
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 49360462) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID49360462
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-28-20-11-9-17(15-21(20)29-2)10-12-22(26)24-19-7-5-6-18(14-19)16-25-13-4-3-8-23(25)27/h5-7,9,11,14-15H,3-4,8,10,12-13,16H2,1-2H3,(H,24,26)
InChIKeyGVEQZURFDLGTAX-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
3-(3-bromo-4-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 34453729
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 8721089
3-[3-[3-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]phenyl]propanoic acid
CID 120613867
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide (CID 49360462) is 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide is COc1ccc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is GVEQZURFDLGTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-11-9-17(15-21(20)29-2)10-12-22(26)24-19-7-5-6-18(14-19)16-25-13-4-3-8-23(25)27/h5-7,9,11,14-15H,3-4,8,10,12-13,16H2,1-2H3,(H,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 49360462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).