3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C16H22N2O4 — CID 2105606

IUPAC3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-7-6-12(10-14(13)22-2)16(20)17-11-15(19)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeySMQIDZNBDUTMIF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.45
Rot. Bonds5

About 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 2105606) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID2105606
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-7-6-12(10-14(13)22-2)16(20)17-11-15(19)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeySMQIDZNBDUTMIF-UHFFFAOYSA-N
XLogP1.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 2105606) is 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is SMQIDZNBDUTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-7-6-12(10-14(13)22-2)16(20)17-11-15(19)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of 3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.45, 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-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 2105606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).