3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide

C20H22N2O4 — CID 7687664

IUPAC3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-10-9-14(12-18(17)26-2)20(24)21-15-6-5-7-16(13-15)22-11-4-3-8-19(22)23/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,21,24)
InChIKeyDEKPAXNTIXJRHF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.47
Rot. Bonds5

About 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide

3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687664) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687664
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-10-9-14(12-18(17)26-2)20(24)21-15-6-5-7-16(13-15)22-11-4-3-8-19(22)23/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,21,24)
InChIKeyDEKPAXNTIXJRHF-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687589
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261
2-(3,4-dimethoxy-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 47078142
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9370024

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687664) is 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is DEKPAXNTIXJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-10-9-14(12-18(17)26-2)20(24)21-15-6-5-7-16(13-15)22-11-4-3-8-19(22)23/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).