3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide

C16H23N3O2 — CID 119390450

IUPAC3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-19(2)16(21)13-6-4-5-12(11-13)15(20)18-14-7-9-17-10-8-14/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyORBMNFVFSWMCOF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds4

About 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide

3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide (PubChem CID 119390450) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
PubChem CID119390450
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-19(2)16(21)13-6-4-5-12(11-13)15(20)18-14-7-9-17-10-8-14/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyORBMNFVFSWMCOF-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide (CID 119390450) is 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide?
The InChIKey is ORBMNFVFSWMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(2)16(21)13-6-4-5-12(11-13)15(20)18-14-7-9-17-10-8-14/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide?
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119390450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).