2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

C16H23N3O3 — CID 68809387

IUPAC2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESCOc1cc(C(N)=O)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-22-14-11-12(15(17)20)5-6-13(14)16(21)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyARXVJYIIAGVTSI-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.01
Rot. Bonds6

About 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 68809387) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
PubChem CID68809387
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESCOc1cc(C(N)=O)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-22-14-11-12(15(17)20)5-6-13(14)16(21)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyARXVJYIIAGVTSI-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882386
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (CID 68809387) is 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is COc1cc(C(N)=O)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is ARXVJYIIAGVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-14-11-12(15(17)20)5-6-13(14)16(21)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 68809387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).