1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide

C17H24N2O4 — CID 46420365

IUPAC1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-18-17(21)13-6-8-19(9-7-13)16(20)11-12-4-5-14(22-2)15(10-12)23-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyKJWYBDFNUKCNQA-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide

1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 46420365) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID46420365
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-18-17(21)13-6-8-19(9-7-13)16(20)11-12-4-5-14(22-2)15(10-12)23-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyKJWYBDFNUKCNQA-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
1-(3-bromo-4-methylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102962225
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 90589610
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide (CID 46420365) is 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is KJWYBDFNUKCNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-18-17(21)13-6-8-19(9-7-13)16(20)11-12-4-5-14(22-2)15(10-12)23-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide?
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46420365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).