4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C22H28N4O3 — CID 55787508

IUPAC4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cn2)cc1C
InChIInChI=1S/C22H28N4O3/c1-15-5-7-19(13-16(15)2)29-20-8-6-18(14-23-20)24-21(27)17-9-11-26(12-10-17)22(28)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)
InChIKeyZQMSLIBRMBTTPY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.82
Rot. Bonds4

About 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55787508) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55787508
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cn2)cc1C
InChIInChI=1S/C22H28N4O3/c1-15-5-7-19(13-16(15)2)29-20-8-6-18(14-23-20)24-21(27)17-9-11-26(12-10-17)22(28)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)
InChIKeyZQMSLIBRMBTTPY-UHFFFAOYSA-N
XLogP3.82
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
CID 50831942
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646908

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55787508) is 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cn2)cc1C.
What is the InChIKey of 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is ZQMSLIBRMBTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-5-7-19(13-16(15)2)29-20-8-6-18(14-23-20)24-21(27)17-9-11-26(12-10-17)22(28)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27).
What are the key properties of 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55787508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).